3-amino-N-[(Z)-(2-hydroxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-carboxamide

C10H10N6O2 — CID 136713291

IUPAC3-amino-N-[(Z)-(2-hydroxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-carboxamide
SMILESNc1n[nH]c(C(=O)N/N=C\c2ccccc2O)n1
InChIInChI=1S/C10H10N6O2/c11-10-13-8(14-16-10)9(18)15-12-5-6-3-1-2-4-7(6)17/h1-5,17H,(H,15,18)(H3,11,13,14,16)/b12-5-
InChIKeyYLPKQLINUHHHGV-XGICHPGQSA-N
MW246.23 g/mol
LogP-0.14
Rot. Bonds3

About 3-amino-N-[(Z)-(2-hydroxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-carboxamide

3-amino-N-[(Z)-(2-hydroxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-carboxamide (PubChem CID 136713291) has the molecular formula C10H10N6O2 and a molecular weight of 246.23 g/mol. Its IUPAC name is 3-amino-N-[(Z)-(2-hydroxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-carboxamide.

Molecular Properties

Compound Name3-amino-N-[(Z)-(2-hydroxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-carboxamide
PubChem CID136713291
Molecular FormulaC10H10N6O2
Molecular Weight246.23 g/mol
Exact Mass246.09
IUPAC Name3-amino-N-[(Z)-(2-hydroxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-carboxamide
SMILESNc1n[nH]c(C(=O)N/N=C\c2ccccc2O)n1
InChIInChI=1S/C10H10N6O2/c11-10-13-8(14-16-10)9(18)15-12-5-6-3-1-2-4-7(6)17/h1-5,17H,(H,15,18)(H3,11,13,14,16)/b12-5-
InChIKeyYLPKQLINUHHHGV-XGICHPGQSA-N
XLogP-0.14
TPSA129.28 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.23
LogP ≤ 5-0.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-[(E)-(2,4-dichlorophenyl)methylideneamino]-1H-1,2,4-triazole-5-carboxamide
CID 6865637
3-amino-N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-carboxamide
CID 5391799
[(Z)-(2-hydroxyphenyl)methylideneamino]urea
CID 135741564
4-bromo-N-[(E)-(2-hydroxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide
CID 135442983
5-tert-butyl-N-[(Z)-(2-hydroxyphenyl)methylideneamino]-1H-pyrazole-3-carboxamide
CID 135909108
1-[(E)-(2-hydroxyphenyl)methylideneamino]-3-(4-phenyl-1,3-thiazol-2-yl)urea
CID 135723550
3,5-dihydroxy-N-[(Z)-(2-hydroxyphenyl)methylideneamino]benzamide
CID 135708473
N-[(2-hydroxyphenyl)methylideneamino]-2-(methylamino)benzamide
CID 3596715
N-[(E)-(2-hydroxyphenyl)methylideneamino]naphthalene-2-carboxamide
CID 135608250
N-[(Z)-(2-hydroxyphenyl)methylideneamino]-2-methylquinoline-3-carboxamide
CID 135708601
N-[(2-hydroxyphenyl)methylideneamino]-4-phenylbenzamide
CID 827697
N-[(2-hydroxyphenyl)methylideneamino]-4-methoxybenzamide
CID 584655

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(Z)-(2-hydroxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-carboxamide?
The IUPAC name of 3-amino-N-[(Z)-(2-hydroxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-carboxamide (CID 136713291) is 3-amino-N-[(Z)-(2-hydroxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-carboxamide.
What is the SMILES notation for 3-amino-N-[(Z)-(2-hydroxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-carboxamide?
The canonical SMILES for 3-amino-N-[(Z)-(2-hydroxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-carboxamide is Nc1n[nH]c(C(=O)N/N=C\c2ccccc2O)n1.
What is the InChIKey of 3-amino-N-[(Z)-(2-hydroxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-carboxamide?
The InChIKey is YLPKQLINUHHHGV-XGICHPGQSA-N. The full InChI is InChI=1S/C10H10N6O2/c11-10-13-8(14-16-10)9(18)15-12-5-6-3-1-2-4-7(6)17/h1-5,17H,(H,15,18)(H3,11,13,14,16)/b12-5-.
What are the key properties of 3-amino-N-[(Z)-(2-hydroxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-carboxamide?
3-amino-N-[(Z)-(2-hydroxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-carboxamide has a molecular weight of 246.23 g/mol, XLogP of -0.14, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(Z)-(2-hydroxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-carboxamide is sourced from PubChem (CID 136713291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).