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

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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).