3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]pentan-3-amine

C10H20N4 — CID 130305336

IUPAC3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]pentan-3-amine
SMILESCCC(N)(CC)Cn1nc(C)nc1C
InChIInChI=1S/C10H20N4/c1-5-10(11,6-2)7-14-9(4)12-8(3)13-14/h5-7,11H2,1-4H3
InChIKeySKARHDCOHZVCMH-UHFFFAOYSA-N
MW196.30 g/mol
LogP1.41
Rot. Bonds4

About 3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]pentan-3-amine

3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]pentan-3-amine (PubChem CID 130305336) has the molecular formula C10H20N4 and a molecular weight of 196.30 g/mol. Its IUPAC name is 3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]pentan-3-amine.

Molecular Properties

Compound Name3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]pentan-3-amine
PubChem CID130305336
Molecular FormulaC10H20N4
Molecular Weight196.30 g/mol
Exact Mass196.17
IUPAC Name3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]pentan-3-amine
SMILESCCC(N)(CC)Cn1nc(C)nc1C
InChIInChI=1S/C10H20N4/c1-5-10(11,6-2)7-14-9(4)12-8(3)13-14/h5-7,11H2,1-4H3
InChIKeySKARHDCOHZVCMH-UHFFFAOYSA-N
XLogP1.41
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.30
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]pentan-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]pentan-3-amine?
The IUPAC name of 3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]pentan-3-amine (CID 130305336) is 3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]pentan-3-amine.
What is the SMILES notation for 3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]pentan-3-amine?
The canonical SMILES for 3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]pentan-3-amine is CCC(N)(CC)Cn1nc(C)nc1C.
What is the InChIKey of 3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]pentan-3-amine?
The InChIKey is SKARHDCOHZVCMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4/c1-5-10(11,6-2)7-14-9(4)12-8(3)13-14/h5-7,11H2,1-4H3.
What are the key properties of 3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]pentan-3-amine?
3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]pentan-3-amine has a molecular weight of 196.30 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]pentan-3-amine is sourced from PubChem (CID 130305336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).