N-[2-(3-methyl-5-propan-2-yl-1,2,4-triazol-1-yl)ethyl]-N-propylpropan-1-amine

C14H28N4 — CID 174295555

IUPACN-[2-(3-methyl-5-propan-2-yl-1,2,4-triazol-1-yl)ethyl]-N-propylpropan-1-amine
SMILESCCCN(CCC)CCn1nc(C)nc1C(C)C
InChIInChI=1S/C14H28N4/c1-6-8-17(9-7-2)10-11-18-14(12(3)4)15-13(5)16-18/h12H,6-11H2,1-5H3
InChIKeySUSTWJQPJSWVOM-UHFFFAOYSA-N
MW252.41 g/mol
LogP2.83
Rot. Bonds8

About N-[2-(3-methyl-5-propan-2-yl-1,2,4-triazol-1-yl)ethyl]-N-propylpropan-1-amine

N-[2-(3-methyl-5-propan-2-yl-1,2,4-triazol-1-yl)ethyl]-N-propylpropan-1-amine (PubChem CID 174295555) has the molecular formula C14H28N4 and a molecular weight of 252.41 g/mol. Its IUPAC name is N-[2-(3-methyl-5-propan-2-yl-1,2,4-triazol-1-yl)ethyl]-N-propylpropan-1-amine.

Molecular Properties

Compound NameN-[2-(3-methyl-5-propan-2-yl-1,2,4-triazol-1-yl)ethyl]-N-propylpropan-1-amine
PubChem CID174295555
Molecular FormulaC14H28N4
Molecular Weight252.41 g/mol
Exact Mass252.23
IUPAC NameN-[2-(3-methyl-5-propan-2-yl-1,2,4-triazol-1-yl)ethyl]-N-propylpropan-1-amine
SMILESCCCN(CCC)CCn1nc(C)nc1C(C)C
InChIInChI=1S/C14H28N4/c1-6-8-17(9-7-2)10-11-18-14(12(3)4)15-13(5)16-18/h12H,6-11H2,1-5H3
InChIKeySUSTWJQPJSWVOM-UHFFFAOYSA-N
XLogP2.83
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.41
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[2-(3-methyl-5-propan-2-yl-1,2,4-triazol-1-yl)ethyl]-N-propylpropan-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

1-methyl-3-(propan-2-yl)-1H-1,2,4-triazol-5-amine
CID 50986546
3,4-Dimethyl-5-propan-2-yl-1,2,4-triazole
CID 20597165
(3-cyclopropyl-1-methyl-1H-1,2,4-triazol-5-yl)methanamine
CID 62720360
2-[1-methyl-3-(propan-2-yl)-1H-1,2,4-triazol-5-yl]ethan-1-amine dihydrochloride
CID 132300829
1,3-Dimethyl-5-propan-2-yl-1,2,4-triazole
CID 18338551
[(5-cyclopropyl-4-methyl-4H-1,2,4-triazol-3-yl)methyl](methyl)amine
CID 56828111
1-(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)-N-methyl-N-[(1-propyltetrazol-5-yl)methyl]methanamine
CID 72114173
1-[2-(1-butyl-3-cyclopropyl-1H-1,2,4-triazol-5-yl)ethyl]-4-methylpiperazine
CID 72860700
methyl[(5-methyl-4-propyl-4H-1,2,4-triazol-3-yl)methyl](prop-2-yn-1-yl)amine
CID 99795793
1-[(1-butyl-3-methyl-1H-1,2,4-triazol-5-yl)methyl]-4-ethylpiperazine
CID 129615362
1-butyl-3-(2-methylpropyl)-5-[(2S)-1-methylpyrrolidin-2-yl]-1,2,4-triazole
CID 131907728
3-Methyl-5-propan-2-yl-1-(2,2,2-trifluoroethyl)-1,2,4-triazole
CID 68355367

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methyl-5-propan-2-yl-1,2,4-triazol-1-yl)ethyl]-N-propylpropan-1-amine?
The IUPAC name of N-[2-(3-methyl-5-propan-2-yl-1,2,4-triazol-1-yl)ethyl]-N-propylpropan-1-amine (CID 174295555) is N-[2-(3-methyl-5-propan-2-yl-1,2,4-triazol-1-yl)ethyl]-N-propylpropan-1-amine.
What is the SMILES notation for N-[2-(3-methyl-5-propan-2-yl-1,2,4-triazol-1-yl)ethyl]-N-propylpropan-1-amine?
The canonical SMILES for N-[2-(3-methyl-5-propan-2-yl-1,2,4-triazol-1-yl)ethyl]-N-propylpropan-1-amine is CCCN(CCC)CCn1nc(C)nc1C(C)C.
What is the InChIKey of N-[2-(3-methyl-5-propan-2-yl-1,2,4-triazol-1-yl)ethyl]-N-propylpropan-1-amine?
The InChIKey is SUSTWJQPJSWVOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4/c1-6-8-17(9-7-2)10-11-18-14(12(3)4)15-13(5)16-18/h12H,6-11H2,1-5H3.
What are the key properties of N-[2-(3-methyl-5-propan-2-yl-1,2,4-triazol-1-yl)ethyl]-N-propylpropan-1-amine?
N-[2-(3-methyl-5-propan-2-yl-1,2,4-triazol-1-yl)ethyl]-N-propylpropan-1-amine has a molecular weight of 252.41 g/mol, XLogP of 2.83, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methyl-5-propan-2-yl-1,2,4-triazol-1-yl)ethyl]-N-propylpropan-1-amine is sourced from PubChem (CID 174295555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).