N-[2-(1,2,4-triazol-1-yl)phenyl]formamide

C9H8N4O — CID 64991070

IUPACN-[2-(1,2,4-triazol-1-yl)phenyl]formamide
SMILESO=CNc1ccccc1-n1cncn1
InChIInChI=1S/C9H8N4O/c14-7-11-8-3-1-2-4-9(8)13-6-10-5-12-13/h1-7H,(H,11,14)
InChIKeyPFKIEVLCIWAGRW-UHFFFAOYSA-N
MW188.19 g/mol
LogP0.84
Rot. Bonds3

About N-[2-(1,2,4-triazol-1-yl)phenyl]formamide

N-[2-(1,2,4-triazol-1-yl)phenyl]formamide (PubChem CID 64991070) has the molecular formula C9H8N4O and a molecular weight of 188.19 g/mol. Its IUPAC name is N-[2-(1,2,4-triazol-1-yl)phenyl]formamide.

Molecular Properties

Compound NameN-[2-(1,2,4-triazol-1-yl)phenyl]formamide
PubChem CID64991070
Molecular FormulaC9H8N4O
Molecular Weight188.19 g/mol
Exact Mass188.07
IUPAC NameN-[2-(1,2,4-triazol-1-yl)phenyl]formamide
SMILESO=CNc1ccccc1-n1cncn1
InChIInChI=1S/C9H8N4O/c14-7-11-8-3-1-2-4-9(8)13-6-10-5-12-13/h1-7H,(H,11,14)
InChIKeyPFKIEVLCIWAGRW-UHFFFAOYSA-N
XLogP0.84
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.19
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-cyclopropyl-2-(1,2,4-triazol-1-yl)aniline
CID 103439007
N-(3-methylcyclobutyl)-2-(1,2,4-triazol-1-yl)aniline
CID 103561298
2-chloro-N-[2-(1,2,4-triazol-1-yl)phenyl]acetamide
CID 43699115
N-(2,6-dimethylcyclohexyl)-2-(1,2,4-triazol-1-yl)aniline
CID 43711534
N-[2-(1,2,4-triazol-1-yl)phenyl]pyrrolidin-3-amine
CID 79730381
phenyl N-[2-(1,2,4-triazol-1-yl)phenyl]carbamate
CID 60755049
4-oxo-4-[2-(1,2,4-triazol-1-yl)anilino]butanoic acid
CID 54867933
2-chloro-N-[2-(1,2,4-triazol-1-yl)phenyl]benzenesulfonamide
CID 35367970
N-[(2-methylphenyl)methyl]-2-(1,2,4-triazol-1-yl)aniline
CID 43426538
(2R)-2-amino-3-methyl-N-[2-(1,2,4-triazol-1-yl)phenyl]butanamide
CID 79011417
N-octyl-2-(1,2,4-triazol-1-yl)aniline
CID 43711465
4-chloro-N-[2-(1,2,4-triazol-1-yl)phenyl]butane-1-sulfonamide
CID 116815655

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,2,4-triazol-1-yl)phenyl]formamide?
The IUPAC name of N-[2-(1,2,4-triazol-1-yl)phenyl]formamide (CID 64991070) is N-[2-(1,2,4-triazol-1-yl)phenyl]formamide.
What is the SMILES notation for N-[2-(1,2,4-triazol-1-yl)phenyl]formamide?
The canonical SMILES for N-[2-(1,2,4-triazol-1-yl)phenyl]formamide is O=CNc1ccccc1-n1cncn1.
What is the InChIKey of N-[2-(1,2,4-triazol-1-yl)phenyl]formamide?
The InChIKey is PFKIEVLCIWAGRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N4O/c14-7-11-8-3-1-2-4-9(8)13-6-10-5-12-13/h1-7H,(H,11,14).
What are the key properties of N-[2-(1,2,4-triazol-1-yl)phenyl]formamide?
N-[2-(1,2,4-triazol-1-yl)phenyl]formamide has a molecular weight of 188.19 g/mol, XLogP of 0.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,2,4-triazol-1-yl)phenyl]formamide is sourced from PubChem (CID 64991070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).