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

C14H18N4 — CID 82203271

IUPAC[5-cyclopropyl-1-[(4-methylphenyl)methyl]triazol-4-yl]methanamine
SMILESCc1ccc(Cn2nnc(CN)c2C2CC2)cc1
InChIInChI=1S/C14H18N4/c1-10-2-4-11(5-3-10)9-18-14(12-6-7-12)13(8-15)16-17-18/h2-5,12H,6-9,15H2,1H3
InChIKeyULOCUJNPSNGWRM-UHFFFAOYSA-N
MW242.33 g/mol
LogP1.97
Rot. Bonds4

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

[5-cyclopropyl-1-[(4-methylphenyl)methyl]triazol-4-yl]methanamine (PubChem CID 82203271) has the molecular formula C14H18N4 and a molecular weight of 242.33 g/mol. Its IUPAC name is [5-cyclopropyl-1-[(4-methylphenyl)methyl]triazol-4-yl]methanamine.

Molecular Properties

Compound Name[5-cyclopropyl-1-[(4-methylphenyl)methyl]triazol-4-yl]methanamine
PubChem CID82203271
Molecular FormulaC14H18N4
Molecular Weight242.33 g/mol
Exact Mass242.15
IUPAC Name[5-cyclopropyl-1-[(4-methylphenyl)methyl]triazol-4-yl]methanamine
SMILESCc1ccc(Cn2nnc(CN)c2C2CC2)cc1
InChIInChI=1S/C14H18N4/c1-10-2-4-11(5-3-10)9-18-14(12-6-7-12)13(8-15)16-17-18/h2-5,12H,6-9,15H2,1H3
InChIKeyULOCUJNPSNGWRM-UHFFFAOYSA-N
XLogP1.97
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.33
LogP ≤ 51.97
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-yl]methanamine?
The IUPAC name of [5-cyclopropyl-1-[(4-methylphenyl)methyl]triazol-4-yl]methanamine (CID 82203271) is [5-cyclopropyl-1-[(4-methylphenyl)methyl]triazol-4-yl]methanamine.
What is the SMILES notation for [5-cyclopropyl-1-[(4-methylphenyl)methyl]triazol-4-yl]methanamine?
The canonical SMILES for [5-cyclopropyl-1-[(4-methylphenyl)methyl]triazol-4-yl]methanamine is Cc1ccc(Cn2nnc(CN)c2C2CC2)cc1.
What is the InChIKey of [5-cyclopropyl-1-[(4-methylphenyl)methyl]triazol-4-yl]methanamine?
The InChIKey is ULOCUJNPSNGWRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4/c1-10-2-4-11(5-3-10)9-18-14(12-6-7-12)13(8-15)16-17-18/h2-5,12H,6-9,15H2,1H3.
What are the key properties of [5-cyclopropyl-1-[(4-methylphenyl)methyl]triazol-4-yl]methanamine?
[5-cyclopropyl-1-[(4-methylphenyl)methyl]triazol-4-yl]methanamine has a molecular weight of 242.33 g/mol, XLogP of 1.97, 4 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-yl]methanamine is sourced from PubChem (CID 82203271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).