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Chemical ID: 4837625
Chemical ID:
4837625
Name [?]:
1,1-dimethyl-3-(1H-tetrazol-5-yl)urea
SMILES [?]:
CN(C)C(=O)Nc1[nH]nnn1
InChi [?]:
InChI=1/C4H8N6O/c1-10(2)4(11)5-3-6-8-9-7-3/h1-2H3,(H2,5,6,7,8,9,11)
InChi Info:
AuxInfo=1/1/N:1,3,7,4,6,8,11,9,10,2,5/E:(1,2)(6,7)(8,9)/rA:11nCNCCONCNNNN/rB:s1;s2;s2;d4;s4;s6;s7;s8;d9;d7s10;/rC:;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C4H8N6O |
All Atoms: | 11 |
Heavy Atoms: | 11 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.17382 |
Area: | 311.818 |
Solvation: | -1.62163 |
Coulombic: | -39.5018 |
Bond Count [?]
All: | 11 |
Single: | 8 |
Double: | 3 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 156.146 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | -1.26 |
LogP (Chemaxon): | -0.24 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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