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

C10H9N5O2 — CID 794777

IUPACN-[(4-hydroxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-carboxamide
SMILESO=C(NN=Cc1ccc(O)cc1)c1ncn[nH]1
InChIInChI=1S/C10H9N5O2/c16-8-3-1-7(2-4-8)5-12-15-10(17)9-11-6-13-14-9/h1-6,16H,(H,15,17)(H,11,13,14)
InChIKeySYTCRQXIKAVREB-UHFFFAOYSA-N
MW231.22 g/mol
LogP0.27
Rot. Bonds3

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

N-[(4-hydroxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-carboxamide (PubChem CID 794777) has the molecular formula C10H9N5O2 and a molecular weight of 231.22 g/mol. Its IUPAC name is N-[(4-hydroxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-carboxamide.

Molecular Properties

Compound NameN-[(4-hydroxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-carboxamide
PubChem CID794777
Molecular FormulaC10H9N5O2
Molecular Weight231.22 g/mol
Exact Mass231.08
IUPAC NameN-[(4-hydroxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-carboxamide
SMILESO=C(NN=Cc1ccc(O)cc1)c1ncn[nH]1
InChIInChI=1S/C10H9N5O2/c16-8-3-1-7(2-4-8)5-12-15-10(17)9-11-6-13-14-9/h1-6,16H,(H,15,17)(H,11,13,14)
InChIKeySYTCRQXIKAVREB-UHFFFAOYSA-N
XLogP0.27
TPSA103.26 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.22
LogP ≤ 50.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-carboxamide?
The IUPAC name of N-[(4-hydroxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-carboxamide (CID 794777) is N-[(4-hydroxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-carboxamide.
What is the SMILES notation for N-[(4-hydroxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-carboxamide?
The canonical SMILES for N-[(4-hydroxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-carboxamide is O=C(NN=Cc1ccc(O)cc1)c1ncn[nH]1.
What is the InChIKey of N-[(4-hydroxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-carboxamide?
The InChIKey is SYTCRQXIKAVREB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N5O2/c16-8-3-1-7(2-4-8)5-12-15-10(17)9-11-6-13-14-9/h1-6,16H,(H,15,17)(H,11,13,14).
What are the key properties of N-[(4-hydroxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-carboxamide?
N-[(4-hydroxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-carboxamide has a molecular weight of 231.22 g/mol, XLogP of 0.27, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-carboxamide is sourced from PubChem (CID 794777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).