2-(4-cyclopropyl-1,2,4-triazol-3-yl)-6-methylaniline

C12H14N4 — CID 62694901

IUPAC2-(4-cyclopropyl-1,2,4-triazol-3-yl)-6-methylaniline
SMILESCc1cccc(-c2nncn2C2CC2)c1N
InChIInChI=1S/C12H14N4/c1-8-3-2-4-10(11(8)13)12-15-14-7-16(12)9-5-6-9/h2-4,7,9H,5-6,13H2,1H3
InChIKeyQXNFVCNGMLXRMG-UHFFFAOYSA-N
MW214.27 g/mol
LogP2.17
Rot. Bonds2

About 2-(4-cyclopropyl-1,2,4-triazol-3-yl)-6-methylaniline

2-(4-cyclopropyl-1,2,4-triazol-3-yl)-6-methylaniline (PubChem CID 62694901) has the molecular formula C12H14N4 and a molecular weight of 214.27 g/mol. Its IUPAC name is 2-(4-cyclopropyl-1,2,4-triazol-3-yl)-6-methylaniline.

Molecular Properties

Compound Name2-(4-cyclopropyl-1,2,4-triazol-3-yl)-6-methylaniline
PubChem CID62694901
Molecular FormulaC12H14N4
Molecular Weight214.27 g/mol
Exact Mass214.12
IUPAC Name2-(4-cyclopropyl-1,2,4-triazol-3-yl)-6-methylaniline
SMILESCc1cccc(-c2nncn2C2CC2)c1N
InChIInChI=1S/C12H14N4/c1-8-3-2-4-10(11(8)13)12-15-14-7-16(12)9-5-6-9/h2-4,7,9H,5-6,13H2,1H3
InChIKeyQXNFVCNGMLXRMG-UHFFFAOYSA-N
XLogP2.17
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 52.17
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 2-(4-cyclopropyl-1,2,4-triazol-3-yl)-6-methylaniline?
The IUPAC name of 2-(4-cyclopropyl-1,2,4-triazol-3-yl)-6-methylaniline (CID 62694901) is 2-(4-cyclopropyl-1,2,4-triazol-3-yl)-6-methylaniline.
What is the SMILES notation for 2-(4-cyclopropyl-1,2,4-triazol-3-yl)-6-methylaniline?
The canonical SMILES for 2-(4-cyclopropyl-1,2,4-triazol-3-yl)-6-methylaniline is Cc1cccc(-c2nncn2C2CC2)c1N.
What is the InChIKey of 2-(4-cyclopropyl-1,2,4-triazol-3-yl)-6-methylaniline?
The InChIKey is QXNFVCNGMLXRMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4/c1-8-3-2-4-10(11(8)13)12-15-14-7-16(12)9-5-6-9/h2-4,7,9H,5-6,13H2,1H3.
What are the key properties of 2-(4-cyclopropyl-1,2,4-triazol-3-yl)-6-methylaniline?
2-(4-cyclopropyl-1,2,4-triazol-3-yl)-6-methylaniline has a molecular weight of 214.27 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclopropyl-1,2,4-triazol-3-yl)-6-methylaniline is sourced from PubChem (CID 62694901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).