[4-cyclopropyl-5-[2-(2-methylphenyl)ethyl]-1,2,4-triazol-3-yl]methanamine

C15H20N4 — CID 112593149

IUPAC[4-cyclopropyl-5-[2-(2-methylphenyl)ethyl]-1,2,4-triazol-3-yl]methanamine
SMILESCc1ccccc1CCc1nnc(CN)n1C1CC1
InChIInChI=1S/C15H20N4/c1-11-4-2-3-5-12(11)6-9-14-17-18-15(10-16)19(14)13-7-8-13/h2-5,13H,6-10,16H2,1H3
InChIKeyAAFANKSJSSZCTI-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.17
Rot. Bonds5

About [4-cyclopropyl-5-[2-(2-methylphenyl)ethyl]-1,2,4-triazol-3-yl]methanamine

[4-cyclopropyl-5-[2-(2-methylphenyl)ethyl]-1,2,4-triazol-3-yl]methanamine (PubChem CID 112593149) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is [4-cyclopropyl-5-[2-(2-methylphenyl)ethyl]-1,2,4-triazol-3-yl]methanamine.

Molecular Properties

Compound Name[4-cyclopropyl-5-[2-(2-methylphenyl)ethyl]-1,2,4-triazol-3-yl]methanamine
PubChem CID112593149
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC Name[4-cyclopropyl-5-[2-(2-methylphenyl)ethyl]-1,2,4-triazol-3-yl]methanamine
SMILESCc1ccccc1CCc1nnc(CN)n1C1CC1
InChIInChI=1S/C15H20N4/c1-11-4-2-3-5-12(11)6-9-14-17-18-15(10-16)19(14)13-7-8-13/h2-5,13H,6-10,16H2,1H3
InChIKeyAAFANKSJSSZCTI-UHFFFAOYSA-N
XLogP2.17
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-cyclopropyl-5-[2-(2-methylphenyl)ethyl]-1,2,4-triazol-3-yl]methanamine?
The IUPAC name of [4-cyclopropyl-5-[2-(2-methylphenyl)ethyl]-1,2,4-triazol-3-yl]methanamine (CID 112593149) is [4-cyclopropyl-5-[2-(2-methylphenyl)ethyl]-1,2,4-triazol-3-yl]methanamine.
What is the SMILES notation for [4-cyclopropyl-5-[2-(2-methylphenyl)ethyl]-1,2,4-triazol-3-yl]methanamine?
The canonical SMILES for [4-cyclopropyl-5-[2-(2-methylphenyl)ethyl]-1,2,4-triazol-3-yl]methanamine is Cc1ccccc1CCc1nnc(CN)n1C1CC1.
What is the InChIKey of [4-cyclopropyl-5-[2-(2-methylphenyl)ethyl]-1,2,4-triazol-3-yl]methanamine?
The InChIKey is AAFANKSJSSZCTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4/c1-11-4-2-3-5-12(11)6-9-14-17-18-15(10-16)19(14)13-7-8-13/h2-5,13H,6-10,16H2,1H3.
What are the key properties of [4-cyclopropyl-5-[2-(2-methylphenyl)ethyl]-1,2,4-triazol-3-yl]methanamine?
[4-cyclopropyl-5-[2-(2-methylphenyl)ethyl]-1,2,4-triazol-3-yl]methanamine has a molecular weight of 256.35 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-cyclopropyl-5-[2-(2-methylphenyl)ethyl]-1,2,4-triazol-3-yl]methanamine is sourced from PubChem (CID 112593149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).