2-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-N-methylaniline

C12H14N4 — CID 60680940

IUPAC2-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-N-methylaniline
SMILESCNc1ccccc1-c1n[nH]c(C2CC2)n1
InChIInChI=1S/C12H14N4/c1-13-10-5-3-2-4-9(10)12-14-11(15-16-12)8-6-7-8/h2-5,8,13H,6-7H2,1H3,(H,14,15,16)
InChIKeyUSGIGWFLXWRLPF-UHFFFAOYSA-N
MW214.27 g/mol
LogP2.39
Rot. Bonds3

About 2-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-N-methylaniline

2-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-N-methylaniline (PubChem CID 60680940) has the molecular formula C12H14N4 and a molecular weight of 214.27 g/mol. Its IUPAC name is 2-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-N-methylaniline.

Molecular Properties

Compound Name2-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-N-methylaniline
PubChem CID60680940
Molecular FormulaC12H14N4
Molecular Weight214.27 g/mol
Exact Mass214.12
IUPAC Name2-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-N-methylaniline
SMILESCNc1ccccc1-c1n[nH]c(C2CC2)n1
InChIInChI=1S/C12H14N4/c1-13-10-5-3-2-4-9(10)12-14-11(15-16-12)8-6-7-8/h2-5,8,13H,6-7H2,1H3,(H,14,15,16)
InChIKeyUSGIGWFLXWRLPF-UHFFFAOYSA-N
XLogP2.39
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-N-methylaniline?
The IUPAC name of 2-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-N-methylaniline (CID 60680940) is 2-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-N-methylaniline.
What is the SMILES notation for 2-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-N-methylaniline?
The canonical SMILES for 2-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-N-methylaniline is CNc1ccccc1-c1n[nH]c(C2CC2)n1.
What is the InChIKey of 2-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-N-methylaniline?
The InChIKey is USGIGWFLXWRLPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4/c1-13-10-5-3-2-4-9(10)12-14-11(15-16-12)8-6-7-8/h2-5,8,13H,6-7H2,1H3,(H,14,15,16).
What are the key properties of 2-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-N-methylaniline?
2-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-N-methylaniline has a molecular weight of 214.27 g/mol, XLogP of 2.39, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-N-methylaniline is sourced from PubChem (CID 60680940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).