(5-methyl-2-phenyltriazol-4-yl)methanamine

C10H12N4 — CID 2776450

IUPAC(5-methyl-2-phenyltriazol-4-yl)methanamine
SMILESCc1nn(-c2ccccc2)nc1CN
InChIInChI=1S/C10H12N4/c1-8-10(7-11)13-14(12-8)9-5-3-2-4-6-9/h2-6H,7,11H2,1H3
InChIKeyNUKMUNLDDAJKOE-UHFFFAOYSA-N
MW188.23 g/mol
LogP1.03
Rot. Bonds2

About (5-methyl-2-phenyltriazol-4-yl)methanamine

(5-methyl-2-phenyltriazol-4-yl)methanamine (PubChem CID 2776450) has the molecular formula C10H12N4 and a molecular weight of 188.23 g/mol. Its IUPAC name is (5-methyl-2-phenyltriazol-4-yl)methanamine.

Molecular Properties

Compound Name(5-methyl-2-phenyltriazol-4-yl)methanamine
PubChem CID2776450
Molecular FormulaC10H12N4
Molecular Weight188.23 g/mol
Exact Mass188.11
IUPAC Name(5-methyl-2-phenyltriazol-4-yl)methanamine
SMILESCc1nn(-c2ccccc2)nc1CN
InChIInChI=1S/C10H12N4/c1-8-10(7-11)13-14(12-8)9-5-3-2-4-6-9/h2-6H,7,11H2,1H3
InChIKeyNUKMUNLDDAJKOE-UHFFFAOYSA-N
XLogP1.03
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-methyl-2-phenyltriazol-4-yl)methanamine?
The IUPAC name of (5-methyl-2-phenyltriazol-4-yl)methanamine (CID 2776450) is (5-methyl-2-phenyltriazol-4-yl)methanamine.
What is the SMILES notation for (5-methyl-2-phenyltriazol-4-yl)methanamine?
The canonical SMILES for (5-methyl-2-phenyltriazol-4-yl)methanamine is Cc1nn(-c2ccccc2)nc1CN.
What is the InChIKey of (5-methyl-2-phenyltriazol-4-yl)methanamine?
The InChIKey is NUKMUNLDDAJKOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4/c1-8-10(7-11)13-14(12-8)9-5-3-2-4-6-9/h2-6H,7,11H2,1H3.
What are the key properties of (5-methyl-2-phenyltriazol-4-yl)methanamine?
(5-methyl-2-phenyltriazol-4-yl)methanamine has a molecular weight of 188.23 g/mol, XLogP of 1.03, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-2-phenyltriazol-4-yl)methanamine is sourced from PubChem (CID 2776450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).