1-(3-methyltriazol-4-yl)-N-propylbutan-1-amine

C10H20N4 — CID 114687206

IUPAC1-(3-methyltriazol-4-yl)-N-propylbutan-1-amine
SMILESCCCNC(CCC)c1cnnn1C
InChIInChI=1S/C10H20N4/c1-4-6-9(11-7-5-2)10-8-12-13-14(10)3/h8-9,11H,4-7H2,1-3H3
InChIKeyNMGAPSIEKCCFCK-UHFFFAOYSA-N
MW196.30 g/mol
LogP1.66
Rot. Bonds6

About 1-(3-methyltriazol-4-yl)-N-propylbutan-1-amine

1-(3-methyltriazol-4-yl)-N-propylbutan-1-amine (PubChem CID 114687206) has the molecular formula C10H20N4 and a molecular weight of 196.30 g/mol. Its IUPAC name is 1-(3-methyltriazol-4-yl)-N-propylbutan-1-amine.

Molecular Properties

Compound Name1-(3-methyltriazol-4-yl)-N-propylbutan-1-amine
PubChem CID114687206
Molecular FormulaC10H20N4
Molecular Weight196.30 g/mol
Exact Mass196.17
IUPAC Name1-(3-methyltriazol-4-yl)-N-propylbutan-1-amine
SMILESCCCNC(CCC)c1cnnn1C
InChIInChI=1S/C10H20N4/c1-4-6-9(11-7-5-2)10-8-12-13-14(10)3/h8-9,11H,4-7H2,1-3H3
InChIKeyNMGAPSIEKCCFCK-UHFFFAOYSA-N
XLogP1.66
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.30
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(3-methyltriazol-4-yl)-N-propylbutan-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-(3-methyltriazol-4-yl)-N-propylheptan-1-amine
CID 105043647
N',N'-dimethyl-1-(3-methyltriazol-4-yl)-N-propylpropane-1,3-diamine
CID 114688885
3-methyl-1-(3-methyltriazol-4-yl)-N-propylpentan-1-amine
CID 105043705
3-(furan-2-yl)-1-(3-methyltriazol-4-yl)-N-propylpropan-1-amine
CID 105184733
N-[2-(3,5-dimethylphenyl)-1-(3-methyltriazol-4-yl)ethyl]propan-1-amine
CID 114687519
N-[2-(4-methylphenyl)-1-(3-methyltriazol-4-yl)ethyl]propan-1-amine
CID 114687476
N-[cyclohexyl-(3-methyltriazol-4-yl)methyl]propan-1-amine
CID 114687199
1-(3-methyltriazol-4-yl)hexylhydrazine
CID 105337497
N-methyl-1-(3-methyltriazol-4-yl)-2-propylpentan-1-amine
CID 105043420
1-(3-methyltriazol-4-yl)-N-propylhexan-3-amine
CID 114690385
1-(3-methyltriazol-4-yl)dodecylhydrazine
CID 105337498
1-(3-methyltriazol-4-yl)-2-propylpentan-1-amine
CID 105043778

Frequently Asked Questions

What is the IUPAC name of 1-(3-methyltriazol-4-yl)-N-propylbutan-1-amine?
The IUPAC name of 1-(3-methyltriazol-4-yl)-N-propylbutan-1-amine (CID 114687206) is 1-(3-methyltriazol-4-yl)-N-propylbutan-1-amine.
What is the SMILES notation for 1-(3-methyltriazol-4-yl)-N-propylbutan-1-amine?
The canonical SMILES for 1-(3-methyltriazol-4-yl)-N-propylbutan-1-amine is CCCNC(CCC)c1cnnn1C.
What is the InChIKey of 1-(3-methyltriazol-4-yl)-N-propylbutan-1-amine?
The InChIKey is NMGAPSIEKCCFCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4/c1-4-6-9(11-7-5-2)10-8-12-13-14(10)3/h8-9,11H,4-7H2,1-3H3.
What are the key properties of 1-(3-methyltriazol-4-yl)-N-propylbutan-1-amine?
1-(3-methyltriazol-4-yl)-N-propylbutan-1-amine has a molecular weight of 196.30 g/mol, XLogP of 1.66, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyltriazol-4-yl)-N-propylbutan-1-amine is sourced from PubChem (CID 114687206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).