5-cyclopropyl-1-[(4-methylphenyl)methyl]triazol-4-amine

C13H16N4 — CID 79547585

IUPAC5-cyclopropyl-1-[(4-methylphenyl)methyl]triazol-4-amine
SMILESCc1ccc(Cn2nnc(N)c2C2CC2)cc1
InChIInChI=1S/C13H16N4/c1-9-2-4-10(5-3-9)8-17-12(11-6-7-11)13(14)15-16-17/h2-5,11H,6-8,14H2,1H3
InChIKeyGEPKNYLXWCABJX-UHFFFAOYSA-N
MW228.30 g/mol
LogP2.09
Rot. Bonds3

About 5-cyclopropyl-1-[(4-methylphenyl)methyl]triazol-4-amine

5-cyclopropyl-1-[(4-methylphenyl)methyl]triazol-4-amine (PubChem CID 79547585) has the molecular formula C13H16N4 and a molecular weight of 228.30 g/mol. Its IUPAC name is 5-cyclopropyl-1-[(4-methylphenyl)methyl]triazol-4-amine.

Molecular Properties

Compound Name5-cyclopropyl-1-[(4-methylphenyl)methyl]triazol-4-amine
PubChem CID79547585
Molecular FormulaC13H16N4
Molecular Weight228.30 g/mol
Exact Mass228.14
IUPAC Name5-cyclopropyl-1-[(4-methylphenyl)methyl]triazol-4-amine
SMILESCc1ccc(Cn2nnc(N)c2C2CC2)cc1
InChIInChI=1S/C13H16N4/c1-9-2-4-10(5-3-9)8-17-12(11-6-7-11)13(14)15-16-17/h2-5,11H,6-8,14H2,1H3
InChIKeyGEPKNYLXWCABJX-UHFFFAOYSA-N
XLogP2.09
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-1-[(4-methylphenyl)methyl]triazol-4-amine?
The IUPAC name of 5-cyclopropyl-1-[(4-methylphenyl)methyl]triazol-4-amine (CID 79547585) is 5-cyclopropyl-1-[(4-methylphenyl)methyl]triazol-4-amine.
What is the SMILES notation for 5-cyclopropyl-1-[(4-methylphenyl)methyl]triazol-4-amine?
The canonical SMILES for 5-cyclopropyl-1-[(4-methylphenyl)methyl]triazol-4-amine is Cc1ccc(Cn2nnc(N)c2C2CC2)cc1.
What is the InChIKey of 5-cyclopropyl-1-[(4-methylphenyl)methyl]triazol-4-amine?
The InChIKey is GEPKNYLXWCABJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4/c1-9-2-4-10(5-3-9)8-17-12(11-6-7-11)13(14)15-16-17/h2-5,11H,6-8,14H2,1H3.
What are the key properties of 5-cyclopropyl-1-[(4-methylphenyl)methyl]triazol-4-amine?
5-cyclopropyl-1-[(4-methylphenyl)methyl]triazol-4-amine has a molecular weight of 228.30 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-1-[(4-methylphenyl)methyl]triazol-4-amine is sourced from PubChem (CID 79547585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).