2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethanamine

C6H12N4 — CID 6492581

IUPAC2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethanamine
SMILESCc1nc(C)n(CCN)n1
InChIInChI=1S/C6H12N4/c1-5-8-6(2)10(9-5)4-3-7/h3-4,7H2,1-2H3
InChIKeyOIVJDIWINLEWFU-UHFFFAOYSA-N
MW140.19 g/mol
LogP-0.15
Rot. Bonds2

About 2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethanamine

2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethanamine (PubChem CID 6492581) has the molecular formula C6H12N4 and a molecular weight of 140.19 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethanamine.

Molecular Properties

Compound Name2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethanamine
PubChem CID6492581
Molecular FormulaC6H12N4
Molecular Weight140.19 g/mol
Exact Mass140.11
IUPAC Name2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethanamine
SMILESCc1nc(C)n(CCN)n1
InChIInChI=1S/C6H12N4/c1-5-8-6(2)10(9-5)4-3-7/h3-4,7H2,1-2H3
InChIKeyOIVJDIWINLEWFU-UHFFFAOYSA-N
XLogP-0.15
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 5-0.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethanamine 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

dimethyl-1H-1,2,4-triazol-3-amine
CID 307976
(4-methyl-4H-1,2,4-triazol-3-yl)methanamine
CID 21744036
methyl[(4-methyl-4H-1,2,4-triazol-3-yl)methyl]amine
CID 23005312
1-(1-Methyl-1H-1,2,4-triazol-5-yl)ethan-1-amine
CID 45791132
1,3-dimethyl-1H-1,2,4-triazol-5-amine
CID 307975
(1-methyl-1H-1,2,4-triazol-3-yl)methanamine hydrochloride
CID 18314526
(1-methyl-1H-1,2,4-triazol-5-yl)methanamine
CID 18330011
2-methyl-5H,6H,7H,8H-(1,2,4)triazolo(1,5-a)pyrazine
CID 18406955
(4-ethyl-4H-1,2,4-triazol-3-yl)methanamine
CID 24695936
1-(4-ethyl-4H-1,2,4-triazol-3-yl)-N-methylmethanamine
CID 28064104
1-Isopropyl-5-methyl-1H-1,2,4-triazol-3-amine
CID 28064235
(dimethyl-4H-1,2,4-triazol-3-yl)methanamine
CID 43524624

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethanamine?
The IUPAC name of 2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethanamine (CID 6492581) is 2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethanamine.
What is the SMILES notation for 2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethanamine?
The canonical SMILES for 2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethanamine is Cc1nc(C)n(CCN)n1.
What is the InChIKey of 2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethanamine?
The InChIKey is OIVJDIWINLEWFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4/c1-5-8-6(2)10(9-5)4-3-7/h3-4,7H2,1-2H3.
What are the key properties of 2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethanamine?
2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethanamine has a molecular weight of 140.19 g/mol, XLogP of -0.15, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethanamine is sourced from PubChem (CID 6492581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).