5-(2,5-dimethyl-1,2,4-triazol-3-yl)pentan-1-amine

C9H18N4 — CID 62694934

IUPAC5-(2,5-dimethyl-1,2,4-triazol-3-yl)pentan-1-amine
SMILESCc1nc(CCCCCN)n(C)n1
InChIInChI=1S/C9H18N4/c1-8-11-9(13(2)12-8)6-4-3-5-7-10/h3-7,10H2,1-2H3
InChIKeyPTQIXALNDGFJOC-UHFFFAOYSA-N
MW182.27 g/mol
LogP0.80
Rot. Bonds5

About 5-(2,5-dimethyl-1,2,4-triazol-3-yl)pentan-1-amine

5-(2,5-dimethyl-1,2,4-triazol-3-yl)pentan-1-amine (PubChem CID 62694934) has the molecular formula C9H18N4 and a molecular weight of 182.27 g/mol. Its IUPAC name is 5-(2,5-dimethyl-1,2,4-triazol-3-yl)pentan-1-amine.

Molecular Properties

Compound Name5-(2,5-dimethyl-1,2,4-triazol-3-yl)pentan-1-amine
PubChem CID62694934
Molecular FormulaC9H18N4
Molecular Weight182.27 g/mol
Exact Mass182.15
IUPAC Name5-(2,5-dimethyl-1,2,4-triazol-3-yl)pentan-1-amine
SMILESCc1nc(CCCCCN)n(C)n1
InChIInChI=1S/C9H18N4/c1-8-11-9(13(2)12-8)6-4-3-5-7-10/h3-7,10H2,1-2H3
InChIKeyPTQIXALNDGFJOC-UHFFFAOYSA-N
XLogP0.80
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-(2,5-dimethyl-1,2,4-triazol-3-yl)pentan-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

6-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)hexan-1-amine
CID 62722491
6-(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)hexan-1-amine
CID 62721244
3-(2,5-dimethyl-1,2,4-triazol-3-yl)-N-propan-2-ylpropan-1-amine
CID 62694930
(2,5-dimethyl-1,2,4-triazol-3-yl)methanesulfonamide
CID 165475201
1-(2,5-dimethyl-1,2,4-triazol-3-yl)-N-methylmethanamine;hydrochloride
CID 169407975
2-[2-(2,5-dimethyl-1,2,4-triazol-3-yl)ethoxy]aniline
CID 82475294
3-(4,5-dimethyl-2-undecylimidazol-1-yl)propan-1-amine
CID 54102720
5-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)pentan-1-amine
CID 61376855
4-(3-methyl-5-propan-2-yl-1,2,4-triazol-1-yl)butan-1-amine
CID 96686984
4-(1-methylimidazol-2-yl)butan-1-amine
CID 79762041
5-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)pentan-1-amine
CID 62043687
ethyl 1-methyl-5-pentyl-1,2,4-triazole-3-carboxylate
CID 63382084

Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dimethyl-1,2,4-triazol-3-yl)pentan-1-amine?
The IUPAC name of 5-(2,5-dimethyl-1,2,4-triazol-3-yl)pentan-1-amine (CID 62694934) is 5-(2,5-dimethyl-1,2,4-triazol-3-yl)pentan-1-amine.
What is the SMILES notation for 5-(2,5-dimethyl-1,2,4-triazol-3-yl)pentan-1-amine?
The canonical SMILES for 5-(2,5-dimethyl-1,2,4-triazol-3-yl)pentan-1-amine is Cc1nc(CCCCCN)n(C)n1.
What is the InChIKey of 5-(2,5-dimethyl-1,2,4-triazol-3-yl)pentan-1-amine?
The InChIKey is PTQIXALNDGFJOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4/c1-8-11-9(13(2)12-8)6-4-3-5-7-10/h3-7,10H2,1-2H3.
What are the key properties of 5-(2,5-dimethyl-1,2,4-triazol-3-yl)pentan-1-amine?
5-(2,5-dimethyl-1,2,4-triazol-3-yl)pentan-1-amine has a molecular weight of 182.27 g/mol, XLogP of 0.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dimethyl-1,2,4-triazol-3-yl)pentan-1-amine is sourced from PubChem (CID 62694934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).