N-[3-(aminomethyl)phenyl]-2H-triazole-4-carboxamide

C10H11N5O — CID 63283245

IUPACN-[3-(aminomethyl)phenyl]-2H-triazole-4-carboxamide
SMILESNCc1cccc(NC(=O)c2cn[nH]n2)c1
InChIInChI=1S/C10H11N5O/c11-5-7-2-1-3-8(4-7)13-10(16)9-6-12-15-14-9/h1-4,6H,5,11H2,(H,13,16)(H,12,14,15)
InChIKeyAKLRGGSNYBYINT-UHFFFAOYSA-N
MW217.23 g/mol
LogP0.52
Rot. Bonds3

About N-[3-(aminomethyl)phenyl]-2H-triazole-4-carboxamide

N-[3-(aminomethyl)phenyl]-2H-triazole-4-carboxamide (PubChem CID 63283245) has the molecular formula C10H11N5O and a molecular weight of 217.23 g/mol. Its IUPAC name is N-[3-(aminomethyl)phenyl]-2H-triazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)phenyl]-2H-triazole-4-carboxamide
PubChem CID63283245
Molecular FormulaC10H11N5O
Molecular Weight217.23 g/mol
Exact Mass217.10
IUPAC NameN-[3-(aminomethyl)phenyl]-2H-triazole-4-carboxamide
SMILESNCc1cccc(NC(=O)c2cn[nH]n2)c1
InChIInChI=1S/C10H11N5O/c11-5-7-2-1-3-8(4-7)13-10(16)9-6-12-15-14-9/h1-4,6H,5,11H2,(H,13,16)(H,12,14,15)
InChIKeyAKLRGGSNYBYINT-UHFFFAOYSA-N
XLogP0.52
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 50.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[[(S)-benzylsulfinyl]methyl]phenyl]-2H-triazole-4-carboxamide
CID 95770554
N-(3-iodophenyl)-2H-triazole-4-carboxamide
CID 47338141
N-[3-(sulfamoylamino)phenyl]-2H-triazole-4-carboxamide
CID 113226196
N-(3-methylsulfonylphenyl)-2H-triazole-4-carboxamide
CID 47338227
1-[3-(aminomethyl)phenyl]-3-(1H-pyrazol-4-yl)urea
CID 43540324
N-[3-(aminomethyl)phenyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide
CID 55167232
N-[4-(carbamoylamino)phenyl]-2H-triazole-4-carboxamide
CID 47338316
5-(aminomethyl)-N-(3-ethylphenyl)pyridine-2-carboxamide
CID 55230586
N-[3-[methyl(propan-2-yl)amino]phenyl]-2H-triazole-4-carboxamide
CID 56785425
N-(3,4-dimethylphenyl)-2H-triazole-4-carboxamide
CID 47334767
N-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2H-triazole-4-carboxamide
CID 164648639
N-[3-(tetrazol-1-yl)phenyl]-2H-triazole-4-carboxamide
CID 47367692

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)phenyl]-2H-triazole-4-carboxamide?
The IUPAC name of N-[3-(aminomethyl)phenyl]-2H-triazole-4-carboxamide (CID 63283245) is N-[3-(aminomethyl)phenyl]-2H-triazole-4-carboxamide.
What is the SMILES notation for N-[3-(aminomethyl)phenyl]-2H-triazole-4-carboxamide?
The canonical SMILES for N-[3-(aminomethyl)phenyl]-2H-triazole-4-carboxamide is NCc1cccc(NC(=O)c2cn[nH]n2)c1.
What is the InChIKey of N-[3-(aminomethyl)phenyl]-2H-triazole-4-carboxamide?
The InChIKey is AKLRGGSNYBYINT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O/c11-5-7-2-1-3-8(4-7)13-10(16)9-6-12-15-14-9/h1-4,6H,5,11H2,(H,13,16)(H,12,14,15).
What are the key properties of N-[3-(aminomethyl)phenyl]-2H-triazole-4-carboxamide?
N-[3-(aminomethyl)phenyl]-2H-triazole-4-carboxamide has a molecular weight of 217.23 g/mol, XLogP of 0.52, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)phenyl]-2H-triazole-4-carboxamide is sourced from PubChem (CID 63283245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).