[4-[5-(oxan-4-yl)-2-propyl-1,2,4-triazol-3-yl]phenyl]methanamine

C17H24N4O — CID 74247160

IUPAC[4-[5-(oxan-4-yl)-2-propyl-1,2,4-triazol-3-yl]phenyl]methanamine
SMILESCCCn1nc(C2CCOCC2)nc1-c1ccc(CN)cc1
InChIInChI=1S/C17H24N4O/c1-2-9-21-17(15-5-3-13(12-18)4-6-15)19-16(20-21)14-7-10-22-11-8-14/h3-6,14H,2,7-12,18H2,1H3
InChIKeyRMEROOBNTBKVSL-UHFFFAOYSA-N
MW300.41 g/mol
LogP2.71
Rot. Bonds5

About [4-[5-(oxan-4-yl)-2-propyl-1,2,4-triazol-3-yl]phenyl]methanamine

[4-[5-(oxan-4-yl)-2-propyl-1,2,4-triazol-3-yl]phenyl]methanamine (PubChem CID 74247160) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is [4-[5-(oxan-4-yl)-2-propyl-1,2,4-triazol-3-yl]phenyl]methanamine.

Molecular Properties

Compound Name[4-[5-(oxan-4-yl)-2-propyl-1,2,4-triazol-3-yl]phenyl]methanamine
PubChem CID74247160
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC Name[4-[5-(oxan-4-yl)-2-propyl-1,2,4-triazol-3-yl]phenyl]methanamine
SMILESCCCn1nc(C2CCOCC2)nc1-c1ccc(CN)cc1
InChIInChI=1S/C17H24N4O/c1-2-9-21-17(15-5-3-13(12-18)4-6-15)19-16(20-21)14-7-10-22-11-8-14/h3-6,14H,2,7-12,18H2,1H3
InChIKeyRMEROOBNTBKVSL-UHFFFAOYSA-N
XLogP2.71
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [4-[5-(oxan-4-yl)-2-propyl-1,2,4-triazol-3-yl]phenyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-[5-(oxan-4-yl)-2-propyl-1,2,4-triazol-3-yl]phenyl]methanamine?
The IUPAC name of [4-[5-(oxan-4-yl)-2-propyl-1,2,4-triazol-3-yl]phenyl]methanamine (CID 74247160) is [4-[5-(oxan-4-yl)-2-propyl-1,2,4-triazol-3-yl]phenyl]methanamine.
What is the SMILES notation for [4-[5-(oxan-4-yl)-2-propyl-1,2,4-triazol-3-yl]phenyl]methanamine?
The canonical SMILES for [4-[5-(oxan-4-yl)-2-propyl-1,2,4-triazol-3-yl]phenyl]methanamine is CCCn1nc(C2CCOCC2)nc1-c1ccc(CN)cc1.
What is the InChIKey of [4-[5-(oxan-4-yl)-2-propyl-1,2,4-triazol-3-yl]phenyl]methanamine?
The InChIKey is RMEROOBNTBKVSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O/c1-2-9-21-17(15-5-3-13(12-18)4-6-15)19-16(20-21)14-7-10-22-11-8-14/h3-6,14H,2,7-12,18H2,1H3.
What are the key properties of [4-[5-(oxan-4-yl)-2-propyl-1,2,4-triazol-3-yl]phenyl]methanamine?
[4-[5-(oxan-4-yl)-2-propyl-1,2,4-triazol-3-yl]phenyl]methanamine has a molecular weight of 300.41 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-(oxan-4-yl)-2-propyl-1,2,4-triazol-3-yl]phenyl]methanamine is sourced from PubChem (CID 74247160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).