2-methyl-5-(5-methyl-1H-1,2,4-triazol-3-yl)aniline

C10H12N4 — CID 61277109

IUPAC2-methyl-5-(5-methyl-1H-1,2,4-triazol-3-yl)aniline
SMILESCc1nc(-c2ccc(C)c(N)c2)n[nH]1
InChIInChI=1S/C10H12N4/c1-6-3-4-8(5-9(6)11)10-12-7(2)13-14-10/h3-5H,11H2,1-2H3,(H,12,13,14)
InChIKeySWCMPQVMSNJSOE-UHFFFAOYSA-N
MW188.23 g/mol
LogP1.67
Rot. Bonds1

About 2-methyl-5-(5-methyl-1H-1,2,4-triazol-3-yl)aniline

2-methyl-5-(5-methyl-1H-1,2,4-triazol-3-yl)aniline (PubChem CID 61277109) has the molecular formula C10H12N4 and a molecular weight of 188.23 g/mol. Its IUPAC name is 2-methyl-5-(5-methyl-1H-1,2,4-triazol-3-yl)aniline.

Molecular Properties

Compound Name2-methyl-5-(5-methyl-1H-1,2,4-triazol-3-yl)aniline
PubChem CID61277109
Molecular FormulaC10H12N4
Molecular Weight188.23 g/mol
Exact Mass188.11
IUPAC Name2-methyl-5-(5-methyl-1H-1,2,4-triazol-3-yl)aniline
SMILESCc1nc(-c2ccc(C)c(N)c2)n[nH]1
InChIInChI=1S/C10H12N4/c1-6-3-4-8(5-9(6)11)10-12-7(2)13-14-10/h3-5H,11H2,1-2H3,(H,12,13,14)
InChIKeySWCMPQVMSNJSOE-UHFFFAOYSA-N
XLogP1.67
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(5-methyl-1H-1,2,4-triazol-3-yl)aniline?
The IUPAC name of 2-methyl-5-(5-methyl-1H-1,2,4-triazol-3-yl)aniline (CID 61277109) is 2-methyl-5-(5-methyl-1H-1,2,4-triazol-3-yl)aniline.
What is the SMILES notation for 2-methyl-5-(5-methyl-1H-1,2,4-triazol-3-yl)aniline?
The canonical SMILES for 2-methyl-5-(5-methyl-1H-1,2,4-triazol-3-yl)aniline is Cc1nc(-c2ccc(C)c(N)c2)n[nH]1.
What is the InChIKey of 2-methyl-5-(5-methyl-1H-1,2,4-triazol-3-yl)aniline?
The InChIKey is SWCMPQVMSNJSOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4/c1-6-3-4-8(5-9(6)11)10-12-7(2)13-14-10/h3-5H,11H2,1-2H3,(H,12,13,14).
What are the key properties of 2-methyl-5-(5-methyl-1H-1,2,4-triazol-3-yl)aniline?
2-methyl-5-(5-methyl-1H-1,2,4-triazol-3-yl)aniline has a molecular weight of 188.23 g/mol, XLogP of 1.67, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(5-methyl-1H-1,2,4-triazol-3-yl)aniline is sourced from PubChem (CID 61277109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).