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

C9H10N4 — CID 19627290

IUPAC[4-(1,2,4-triazol-1-yl)phenyl]methanamine
SMILESNCc1ccc(-n2cncn2)cc1
InChIInChI=1S/C9H10N4/c10-5-8-1-3-9(4-2-8)13-7-11-6-12-13/h1-4,6-7H,5,10H2
InChIKeyWJLYNSNEGTXEFD-UHFFFAOYSA-N
MW174.21 g/mol
LogP0.73
Rot. Bonds2

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

[4-(1,2,4-triazol-1-yl)phenyl]methanamine (PubChem CID 19627290) has the molecular formula C9H10N4 and a molecular weight of 174.21 g/mol. Its IUPAC name is [4-(1,2,4-triazol-1-yl)phenyl]methanamine.

Molecular Properties

Compound Name[4-(1,2,4-triazol-1-yl)phenyl]methanamine
PubChem CID19627290
Molecular FormulaC9H10N4
Molecular Weight174.21 g/mol
Exact Mass174.09
IUPAC Name[4-(1,2,4-triazol-1-yl)phenyl]methanamine
SMILESNCc1ccc(-n2cncn2)cc1
InChIInChI=1S/C9H10N4/c10-5-8-1-3-9(4-2-8)13-7-11-6-12-13/h1-4,6-7H,5,10H2
InChIKeyWJLYNSNEGTXEFD-UHFFFAOYSA-N
XLogP0.73
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.21
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-phenyl-1H-1,2,4-triazole
CID 83432
3-[(1H-1,2,4-triazol-1-yl)methyl]aniline
CID 6482004
1-(4-Aminobenzyl)-1,2,4-triazole
CID 821219
N-{[4-(dimethylamino)phenyl]methyl}-4H-1,2,4-triazol-4-amine
CID 892578
4-(1,2,4-Triazol-1-yl)aniline
CID 735826
4-(4H-1,2,4-Triazol-4-yl)aniline
CID 6492920
3-methyl-4-(1H-1,2,3,4-tetrazol-1-yl)aniline
CID 16776027
N-[4-(diethylamino)benzyl]-1-propyl-1H-tetrazol-5-amine
CID 834702
(4-Amino-benzyl)-(2H-[1,2,4]triazol-3-yl)-amine
CID 851534
[(4-methylphenyl)amino]-N-(1,2,4-triazol-4-yl)carboxamide
CID 4243595
1-(4-Methylphenyl)-3-(1,2,4-triazol-4-yl)thiourea
CID 841432
5-N-benzyl-1-phenyl-1,2,4-triazole-3,5-diamine
CID 8073490

Frequently Asked Questions

What is the IUPAC name of [4-(1,2,4-triazol-1-yl)phenyl]methanamine?
The IUPAC name of [4-(1,2,4-triazol-1-yl)phenyl]methanamine (CID 19627290) is [4-(1,2,4-triazol-1-yl)phenyl]methanamine.
What is the SMILES notation for [4-(1,2,4-triazol-1-yl)phenyl]methanamine?
The canonical SMILES for [4-(1,2,4-triazol-1-yl)phenyl]methanamine is NCc1ccc(-n2cncn2)cc1.
What is the InChIKey of [4-(1,2,4-triazol-1-yl)phenyl]methanamine?
The InChIKey is WJLYNSNEGTXEFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4/c10-5-8-1-3-9(4-2-8)13-7-11-6-12-13/h1-4,6-7H,5,10H2.
What are the key properties of [4-(1,2,4-triazol-1-yl)phenyl]methanamine?
[4-(1,2,4-triazol-1-yl)phenyl]methanamine has a molecular weight of 174.21 g/mol, XLogP of 0.73, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1,2,4-triazol-1-yl)phenyl]methanamine is sourced from PubChem (CID 19627290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).