2-methoxy-3-(4-propyl-1,2,4-triazol-3-yl)propan-1-amine

C9H18N4O — CID 103160297

IUPAC2-methoxy-3-(4-propyl-1,2,4-triazol-3-yl)propan-1-amine
SMILESCCCn1cnnc1CC(CN)OC
InChIInChI=1S/C9H18N4O/c1-3-4-13-7-11-12-9(13)5-8(6-10)14-2/h7-8H,3-6,10H2,1-2H3
InChIKeyJRZVQUQTTWIZBX-UHFFFAOYSA-N
MW198.27 g/mol
LogP0.20
Rot. Bonds6

About 2-methoxy-3-(4-propyl-1,2,4-triazol-3-yl)propan-1-amine

2-methoxy-3-(4-propyl-1,2,4-triazol-3-yl)propan-1-amine (PubChem CID 103160297) has the molecular formula C9H18N4O and a molecular weight of 198.27 g/mol. Its IUPAC name is 2-methoxy-3-(4-propyl-1,2,4-triazol-3-yl)propan-1-amine.

Molecular Properties

Compound Name2-methoxy-3-(4-propyl-1,2,4-triazol-3-yl)propan-1-amine
PubChem CID103160297
Molecular FormulaC9H18N4O
Molecular Weight198.27 g/mol
Exact Mass198.15
IUPAC Name2-methoxy-3-(4-propyl-1,2,4-triazol-3-yl)propan-1-amine
SMILESCCCn1cnnc1CC(CN)OC
InChIInChI=1S/C9H18N4O/c1-3-4-13-7-11-12-9(13)5-8(6-10)14-2/h7-8H,3-6,10H2,1-2H3
InChIKeyJRZVQUQTTWIZBX-UHFFFAOYSA-N
XLogP0.20
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-methoxy-3-(4-propyl-1,2,4-triazol-3-yl)propan-1-amine with MolForge

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

Launch Full Analysis

Related Compounds

2-methoxy-3-(4-propan-2-yl-1,2,4-triazol-3-yl)propan-1-amine
CID 103160298
3-(4-cyclopentyl-1,2,4-triazol-3-yl)-2-methoxypropan-1-amine
CID 103160303
3-(propan-2-yloxymethyl)-4-propyl-1,2,4-triazole
CID 112605961
4-propyl-3-(2,4,4-trimethylpentyl)-1,2,4-triazole
CID 115394976
3-(4-fluoro-1-propylbenzimidazol-2-yl)-2-methoxypropan-1-amine
CID 103153970
2-methyl-4-(4-propyl-1,2,4-triazol-3-yl)butan-2-amine
CID 62694477
3-[2-(2,2-difluoroethoxy)ethyl]-4-propyl-1,2,4-triazole
CID 103213666
3-(methylsulfonylmethyl)-4-propyl-1,2,4-triazole
CID 115395149
4-(2-methoxyethyl)-3-propyl-1,2,4-triazole
CID 115393557
N-[(4-propyl-1,2,4-triazol-3-yl)methyl]butan-2-amine
CID 62694664
3-(7-chloro-1-propylbenzimidazol-2-yl)-2-methoxypropan-1-amine
CID 103153975
3-ethyl-4-(2-methoxyethyl)-1,2,4-triazole
CID 115393588

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3-(4-propyl-1,2,4-triazol-3-yl)propan-1-amine?
The IUPAC name of 2-methoxy-3-(4-propyl-1,2,4-triazol-3-yl)propan-1-amine (CID 103160297) is 2-methoxy-3-(4-propyl-1,2,4-triazol-3-yl)propan-1-amine.
What is the SMILES notation for 2-methoxy-3-(4-propyl-1,2,4-triazol-3-yl)propan-1-amine?
The canonical SMILES for 2-methoxy-3-(4-propyl-1,2,4-triazol-3-yl)propan-1-amine is CCCn1cnnc1CC(CN)OC.
What is the InChIKey of 2-methoxy-3-(4-propyl-1,2,4-triazol-3-yl)propan-1-amine?
The InChIKey is JRZVQUQTTWIZBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4O/c1-3-4-13-7-11-12-9(13)5-8(6-10)14-2/h7-8H,3-6,10H2,1-2H3.
What are the key properties of 2-methoxy-3-(4-propyl-1,2,4-triazol-3-yl)propan-1-amine?
2-methoxy-3-(4-propyl-1,2,4-triazol-3-yl)propan-1-amine has a molecular weight of 198.27 g/mol, XLogP of 0.20, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3-(4-propyl-1,2,4-triazol-3-yl)propan-1-amine is sourced from PubChem (CID 103160297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).