Chemical ID: 6045341

c1c(c([nH]n1)[NH3+])C(=O)N
Chemical ID:
6045341
Name [?]:
(4-carbamoyl-2H-pyrazol-3-yl)ammonium
SMILES [?]:
c1c(c([nH]n1)[NH3+])C(=O)N
InChi [?]:
InChI=1/C4H6N4O/c5-3-2(4(6)9)1-7-8-3/h1H,(H2,6,9)(H3,5,7,8)/p+1
InChi Info:
AuxInfo=1/1/N:1,2,3,7,6,9,5,4,8/rA:9nCCCNNN+CON/rB:s1;d2;s3;d1s4;s3;s2;d7;s7;/rC:;;;;;;;;;

Chemical Details

Atom Count
Formula:C4H7N4O+
All Atoms:9
Heavy Atoms:9
Chiral Atoms:0
ZAP Information [?]
Total:-34.4262
Area:268.539
Solvation:-41.1397
Coulombic:14.0095
Bond Count [?]
All:9
Single:6
Double:3
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:127.125
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:-0.3
LogP (Chemaxon):-1.17

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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