2-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pentan-1-amine

C9H18N4 — CID 60978609

IUPAC2-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pentan-1-amine
SMILESCCCC(C)CNCc1ncn[nH]1
InChIInChI=1S/C9H18N4/c1-3-4-8(2)5-10-6-9-11-7-12-13-9/h7-8,10H,3-6H2,1-2H3,(H,11,12,13)
InChIKeyZAZYAXOIIMCRKN-UHFFFAOYSA-N
MW182.27 g/mol
LogP1.33
Rot. Bonds6

About 2-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pentan-1-amine

2-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pentan-1-amine (PubChem CID 60978609) has the molecular formula C9H18N4 and a molecular weight of 182.27 g/mol. Its IUPAC name is 2-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pentan-1-amine.

Molecular Properties

Compound Name2-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pentan-1-amine
PubChem CID60978609
Molecular FormulaC9H18N4
Molecular Weight182.27 g/mol
Exact Mass182.15
IUPAC Name2-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pentan-1-amine
SMILESCCCC(C)CNCc1ncn[nH]1
InChIInChI=1S/C9H18N4/c1-3-4-8(2)5-10-6-9-11-7-12-13-9/h7-8,10H,3-6H2,1-2H3,(H,11,12,13)
InChIKeyZAZYAXOIIMCRKN-UHFFFAOYSA-N
XLogP1.33
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)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

N-(1H-imidazol-2-ylmethyl)-2-methylpentan-1-amine
CID 64546852
N-(1H-1,2,4-triazol-5-ylmethyl)butan-1-amine
CID 60978735
2-phenyl-N-(1H-1,2,4-triazol-5-ylmethyl)propan-1-amine
CID 60978760
2-tert-butyl-4-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pentan-1-amine
CID 58808331
2-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pentan-1-amine
CID 61004070
2-methyl-N-(1,3-thiazol-2-ylmethyl)pentan-1-amine
CID 61286207
N-methyl-1-(1H-1,2,4-triazol-5-yl)butan-1-amine
CID 65360719
N-[(5-chloro-2-pyridinyl)methyl]-2-methylpentan-1-amine
CID 115908938
N-[2-(1H-1,2,4-triazol-5-yl)ethyl]propan-1-amine;dihydrochloride
CID 154878724
N,N-diethyl-4-[(1H-1,2,4-triazol-5-ylmethylamino)methyl]aniline
CID 54885355
N-[2-(1H-1,2,4-triazol-5-yl)ethyl]heptan-2-amine
CID 64546765
1-(5-methyl-1H-imidazol-4-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)methanamine
CID 62743221

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pentan-1-amine?
The IUPAC name of 2-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pentan-1-amine (CID 60978609) is 2-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pentan-1-amine.
What is the SMILES notation for 2-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pentan-1-amine?
The canonical SMILES for 2-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pentan-1-amine is CCCC(C)CNCc1ncn[nH]1.
What is the InChIKey of 2-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pentan-1-amine?
The InChIKey is ZAZYAXOIIMCRKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4/c1-3-4-8(2)5-10-6-9-11-7-12-13-9/h7-8,10H,3-6H2,1-2H3,(H,11,12,13).
What are the key properties of 2-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pentan-1-amine?
2-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pentan-1-amine has a molecular weight of 182.27 g/mol, XLogP of 1.33, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pentan-1-amine is sourced from PubChem (CID 60978609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).