1-benzyl-N-methyltriazol-4-amine

C10H12N4 — CID 57173216

IUPAC1-benzyl-N-methyltriazol-4-amine
SMILESCNc1cn(Cc2ccccc2)nn1
InChIInChI=1S/C10H12N4/c1-11-10-8-14(13-12-10)7-9-5-3-2-4-6-9/h2-6,8,11H,7H2,1H3
InChIKeyDYTZXKWPVUWABS-UHFFFAOYSA-N
MW188.23 g/mol
LogP1.37
Rot. Bonds3

About 1-benzyl-N-methyltriazol-4-amine

1-benzyl-N-methyltriazol-4-amine (PubChem CID 57173216) has the molecular formula C10H12N4 and a molecular weight of 188.23 g/mol. Its IUPAC name is 1-benzyl-N-methyltriazol-4-amine.

Molecular Properties

Compound Name1-benzyl-N-methyltriazol-4-amine
PubChem CID57173216
Molecular FormulaC10H12N4
Molecular Weight188.23 g/mol
Exact Mass188.11
IUPAC Name1-benzyl-N-methyltriazol-4-amine
SMILESCNc1cn(Cc2ccccc2)nn1
InChIInChI=1S/C10H12N4/c1-11-10-8-14(13-12-10)7-9-5-3-2-4-6-9/h2-6,8,11H,7H2,1H3
InChIKeyDYTZXKWPVUWABS-UHFFFAOYSA-N
XLogP1.37
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-methyltriazol-4-amine?
The IUPAC name of 1-benzyl-N-methyltriazol-4-amine (CID 57173216) is 1-benzyl-N-methyltriazol-4-amine.
What is the SMILES notation for 1-benzyl-N-methyltriazol-4-amine?
The canonical SMILES for 1-benzyl-N-methyltriazol-4-amine is CNc1cn(Cc2ccccc2)nn1.
What is the InChIKey of 1-benzyl-N-methyltriazol-4-amine?
The InChIKey is DYTZXKWPVUWABS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4/c1-11-10-8-14(13-12-10)7-9-5-3-2-4-6-9/h2-6,8,11H,7H2,1H3.
What are the key properties of 1-benzyl-N-methyltriazol-4-amine?
1-benzyl-N-methyltriazol-4-amine has a molecular weight of 188.23 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-methyltriazol-4-amine is sourced from PubChem (CID 57173216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).