1-benzyltriazol-4-amine

C9H10N4 — CID 56766768

IUPAC1-benzyltriazol-4-amine
SMILESNc1cn(Cc2ccccc2)nn1
InChIInChI=1S/C9H10N4/c10-9-7-13(12-11-9)6-8-4-2-1-3-5-8/h1-5,7H,6,10H2
InChIKeyRBLVYNSMAXMNKV-UHFFFAOYSA-N
MW174.21 g/mol
LogP0.91
Rot. Bonds2

About 1-benzyltriazol-4-amine

1-benzyltriazol-4-amine (PubChem CID 56766768) has the molecular formula C9H10N4 and a molecular weight of 174.21 g/mol. Its IUPAC name is 1-benzyltriazol-4-amine.

Molecular Properties

Compound Name1-benzyltriazol-4-amine
PubChem CID56766768
Molecular FormulaC9H10N4
Molecular Weight174.21 g/mol
Exact Mass174.09
IUPAC Name1-benzyltriazol-4-amine
SMILESNc1cn(Cc2ccccc2)nn1
InChIInChI=1S/C9H10N4/c10-9-7-13(12-11-9)6-8-4-2-1-3-5-8/h1-5,7H,6,10H2
InChIKeyRBLVYNSMAXMNKV-UHFFFAOYSA-N
XLogP0.91
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 ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(1H-1,2,3-Triazol-1-yl)methyl]benzonitrile
CID 14196997
1-benzyl-N-(2-piperidin-1-ylethyl)triazol-4-amine
CID 76683678
N-[2-(azepan-1-yl)ethyl]-1-benzyltriazol-4-amine
CID 76683883
1-[(4-fluorophenyl)methyl]-N-(2-piperidin-1-ylethyl)triazol-4-amine
CID 76683885
1-[(3-fluorophenyl)methyl]-N-(2-piperidin-1-ylethyl)triazol-4-amine
CID 76683976
N-(1-benzyltriazol-4-yl)-N',N'-diethylethane-1,2-diamine
CID 76683978
1-[(3,4-difluorophenyl)methyl]-N-(2-piperidin-1-ylethyl)triazol-4-amine
CID 76684100
1-[(3,4-difluorophenyl)methyl]-N-[2-(4,4-difluoropiperidin-1-yl)ethyl]triazol-4-amine
CID 76684202
N-[2-(4,4-difluoropiperidin-1-yl)ethyl]-1-[(4-fluorophenyl)methyl]triazol-4-amine
CID 76684208
N-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethyl]-1-[(4-fluorophenyl)methyl]triazol-4-amine
CID 118565438
1-phenyl-1H-1,2,3-triazol-4-amine
CID 22042185
1-benzyl-N-[2-(4-methylpiperazin-1-yl)ethyl]triazol-4-amine
CID 76683881

Frequently Asked Questions

What is the IUPAC name of 1-benzyltriazol-4-amine?
The IUPAC name of 1-benzyltriazol-4-amine (CID 56766768) is 1-benzyltriazol-4-amine.
What is the SMILES notation for 1-benzyltriazol-4-amine?
The canonical SMILES for 1-benzyltriazol-4-amine is Nc1cn(Cc2ccccc2)nn1.
What is the InChIKey of 1-benzyltriazol-4-amine?
The InChIKey is RBLVYNSMAXMNKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4/c10-9-7-13(12-11-9)6-8-4-2-1-3-5-8/h1-5,7H,6,10H2.
What are the key properties of 1-benzyltriazol-4-amine?
1-benzyltriazol-4-amine has a molecular weight of 174.21 g/mol, XLogP of 0.91, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyltriazol-4-amine is sourced from PubChem (CID 56766768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).