4-methyl-3-(triazol-2-yl)aniline

C9H10N4 — CID 57471942

IUPAC4-methyl-3-(triazol-2-yl)aniline
SMILESCc1ccc(N)cc1-n1nccn1
InChIInChI=1S/C9H10N4/c1-7-2-3-8(10)6-9(7)13-11-4-5-12-13/h2-6H,10H2,1H3
InChIKeyHOHTWISQCHHBPV-UHFFFAOYSA-N
MW174.21 g/mol
LogP1.16
Rot. Bonds1

About 4-methyl-3-(triazol-2-yl)aniline

4-methyl-3-(triazol-2-yl)aniline (PubChem CID 57471942) has the molecular formula C9H10N4 and a molecular weight of 174.21 g/mol. Its IUPAC name is 4-methyl-3-(triazol-2-yl)aniline.

Molecular Properties

Compound Name4-methyl-3-(triazol-2-yl)aniline
PubChem CID57471942
Molecular FormulaC9H10N4
Molecular Weight174.21 g/mol
Exact Mass174.09
IUPAC Name4-methyl-3-(triazol-2-yl)aniline
SMILESCc1ccc(N)cc1-n1nccn1
InChIInChI=1S/C9H10N4/c1-7-2-3-8(10)6-9(7)13-11-4-5-12-13/h2-6H,10H2,1H3
InChIKeyHOHTWISQCHHBPV-UHFFFAOYSA-N
XLogP1.16
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.21
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(triazol-2-yl)aniline?
The IUPAC name of 4-methyl-3-(triazol-2-yl)aniline (CID 57471942) is 4-methyl-3-(triazol-2-yl)aniline.
What is the SMILES notation for 4-methyl-3-(triazol-2-yl)aniline?
The canonical SMILES for 4-methyl-3-(triazol-2-yl)aniline is Cc1ccc(N)cc1-n1nccn1.
What is the InChIKey of 4-methyl-3-(triazol-2-yl)aniline?
The InChIKey is HOHTWISQCHHBPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4/c1-7-2-3-8(10)6-9(7)13-11-4-5-12-13/h2-6H,10H2,1H3.
What are the key properties of 4-methyl-3-(triazol-2-yl)aniline?
4-methyl-3-(triazol-2-yl)aniline has a molecular weight of 174.21 g/mol, XLogP of 1.16, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-(triazol-2-yl)aniline is sourced from PubChem (CID 57471942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).