1-methyl-1,2,4-triazole;N-pentylpentan-1-amine

C13H28N4 — CID 130421570

IUPAC1-methyl-1,2,4-triazole;N-pentylpentan-1-amine
SMILESCCCCCNCCCCC.Cn1cncn1
InChIInChI=1S/C10H23N.C3H5N3/c1-3-5-7-9-11-10-8-6-4-2;1-6-3-4-2-5-6/h11H,3-10H2,1-2H3;2-3H,1H3
InChIKeySCSMJGXNONFCRH-UHFFFAOYSA-N
MW240.39 g/mol
LogP2.77
Rot. Bonds8

About 1-methyl-1,2,4-triazole;N-pentylpentan-1-amine

1-methyl-1,2,4-triazole;N-pentylpentan-1-amine (PubChem CID 130421570) has the molecular formula C13H28N4 and a molecular weight of 240.39 g/mol. Its IUPAC name is 1-methyl-1,2,4-triazole;N-pentylpentan-1-amine.

Molecular Properties

Compound Name1-methyl-1,2,4-triazole;N-pentylpentan-1-amine
PubChem CID130421570
Molecular FormulaC13H28N4
Molecular Weight240.39 g/mol
Exact Mass240.23
IUPAC Name1-methyl-1,2,4-triazole;N-pentylpentan-1-amine
SMILESCCCCCNCCCCC.Cn1cncn1
InChIInChI=1S/C10H23N.C3H5N3/c1-3-5-7-9-11-10-8-6-4-2;1-6-3-4-2-5-6/h11H,3-10H2,1-2H3;2-3H,1H3
InChIKeySCSMJGXNONFCRH-UHFFFAOYSA-N
XLogP2.77
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-methyl-1,2,4-triazole;N-pentylpentan-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

N-hexyltridecan-1-amine
CID 87659278
octane;N-octylnonan-1-amine
CID 145152206
N-pentylpentan-1-amine;hydrochloride
CID 520044
N-pentylpentan-1-amine;sulfane
CID 173223078
N-undecyltetradecan-1-amine
CID 166059375
N,N'-diheptyldecane-1,10-diamine
CID 3028161
N,N'-diheptylhexane-1,6-diamine
CID 3028571
N-(2-pyrazol-1-ylethyl)pentan-1-amine
CID 61459569
N-(2-pyrazol-1-ylethyl)nonan-1-amine
CID 61463027
N-[4-(1,2,4-triazol-1-yl)butan-2-yl]hexan-1-amine
CID 115705346
N-docosyldocosan-1-amine;hydrochloride
CID 173181498
methane;N-octyloctan-1-amine
CID 87294693

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1,2,4-triazole;N-pentylpentan-1-amine?
The IUPAC name of 1-methyl-1,2,4-triazole;N-pentylpentan-1-amine (CID 130421570) is 1-methyl-1,2,4-triazole;N-pentylpentan-1-amine.
What is the SMILES notation for 1-methyl-1,2,4-triazole;N-pentylpentan-1-amine?
The canonical SMILES for 1-methyl-1,2,4-triazole;N-pentylpentan-1-amine is CCCCCNCCCCC.Cn1cncn1.
What is the InChIKey of 1-methyl-1,2,4-triazole;N-pentylpentan-1-amine?
The InChIKey is SCSMJGXNONFCRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N.C3H5N3/c1-3-5-7-9-11-10-8-6-4-2;1-6-3-4-2-5-6/h11H,3-10H2,1-2H3;2-3H,1H3.
What are the key properties of 1-methyl-1,2,4-triazole;N-pentylpentan-1-amine?
1-methyl-1,2,4-triazole;N-pentylpentan-1-amine has a molecular weight of 240.39 g/mol, XLogP of 2.77, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1,2,4-triazole;N-pentylpentan-1-amine is sourced from PubChem (CID 130421570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).