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Chemical ID: 7112412
Chemical ID:
7112412
Name [?]:
N-[(1-methylpyrrol-2-yl)methyl]-2H-tetrazol-5-amine
SMILES [?]:
Cn1cccc1CNc2n[nH]nn2
InChi [?]:
InChI=1/C7H10N6/c1-13-4-2-3-6(13)5-8-7-9-11-12-10-7/h2-4H,5H2,1H3,(H2,8,9,10,11,12)
InChi Info:
AuxInfo=1/1/N:1,4,5,3,7,6,9,8,10,13,11,12,2/E:(9,10)(11,12)/rA:13nCNCCCCCNCNNNN/rB:s1;s2;d3;s4;s2d5;s6;s7;s8;d9;s10;s11;s9d12;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C7H10N6 |
All Atoms: | 23 |
Heavy Atoms: | 13 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.0275 |
Area: | 352.277 |
Solvation: | -1.77942 |
Coulombic: | -28.0398 |
Bond Count [?]
All: | 14 |
Single: | 10 |
Double: | 4 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 178.195 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 1.1 |
LogP (Chemaxon): | 0.6 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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