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

C13H25N5 — CID 80680846

IUPACN-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-1-propylpiperidin-4-amine
SMILESCCCN1CCC(NCCc2ncn(C)n2)CC1
InChIInChI=1S/C13H25N5/c1-3-8-18-9-5-12(6-10-18)14-7-4-13-15-11-17(2)16-13/h11-12,14H,3-10H2,1-2H3
InChIKeyIXAAEEUSFWAHLT-UHFFFAOYSA-N
MW251.38 g/mol
LogP0.82
Rot. Bonds6

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

N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-1-propylpiperidin-4-amine (PubChem CID 80680846) has the molecular formula C13H25N5 and a molecular weight of 251.38 g/mol. Its IUPAC name is N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-1-propylpiperidin-4-amine.

Molecular Properties

Compound NameN-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-1-propylpiperidin-4-amine
PubChem CID80680846
Molecular FormulaC13H25N5
Molecular Weight251.38 g/mol
Exact Mass251.21
IUPAC NameN-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-1-propylpiperidin-4-amine
SMILESCCCN1CCC(NCCc2ncn(C)n2)CC1
InChIInChI=1S/C13H25N5/c1-3-8-18-9-5-12(6-10-18)14-7-4-13-15-11-17(2)16-13/h11-12,14H,3-10H2,1-2H3
InChIKeyIXAAEEUSFWAHLT-UHFFFAOYSA-N
XLogP0.82
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.38
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-1-propylpiperidin-4-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-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]cyclooctanamine
CID 80681774
2-ethyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]oxan-4-amine
CID 80683143
N-(2-phenylethyl)-1-propylazepan-4-amine
CID 65072843
2,6-dimethyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]cyclohexan-1-amine
CID 80680581
N-[2-(2-methylphenyl)ethyl]-1-propylpiperidin-4-amine
CID 78911476
N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-propylazepan-4-amine
CID 106414436
N-[(5-chloro-1-methylimidazol-2-yl)methyl]-1-propylpiperidin-4-amine
CID 60695637
N-(3-fluoropropyl)-1-propylpiperidin-4-amine
CID 81106690
4-[2-[(1-propylpiperidin-4-yl)amino]ethyl]benzenesulfonamide
CID 119164939
N-(3,3-diphenylpropyl)-1-propylpiperidin-4-amine
CID 2846321
2,2-dimethyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]cyclohexan-1-amine
CID 80681012
3-(2-bromophenyl)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]cyclobutan-1-amine
CID 80681078

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-1-propylpiperidin-4-amine?
The IUPAC name of N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-1-propylpiperidin-4-amine (CID 80680846) is N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-1-propylpiperidin-4-amine.
What is the SMILES notation for N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-1-propylpiperidin-4-amine?
The canonical SMILES for N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-1-propylpiperidin-4-amine is CCCN1CCC(NCCc2ncn(C)n2)CC1.
What is the InChIKey of N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-1-propylpiperidin-4-amine?
The InChIKey is IXAAEEUSFWAHLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5/c1-3-8-18-9-5-12(6-10-18)14-7-4-13-15-11-17(2)16-13/h11-12,14H,3-10H2,1-2H3.
What are the key properties of N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-1-propylpiperidin-4-amine?
N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-1-propylpiperidin-4-amine has a molecular weight of 251.38 g/mol, XLogP of 0.82, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-1-propylpiperidin-4-amine is sourced from PubChem (CID 80680846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).