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

C6H12N4 — CID 61354605

IUPAC2-(4,5-dimethyl-1,2,4-triazol-3-yl)ethanamine
SMILESCc1nnc(CCN)n1C
InChIInChI=1S/C6H12N4/c1-5-8-9-6(3-4-7)10(5)2/h3-4,7H2,1-2H3
InChIKeyTYWRRCQYQXNVEK-UHFFFAOYSA-N
MW140.19 g/mol
LogP-0.38
Rot. Bonds2

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

2-(4,5-dimethyl-1,2,4-triazol-3-yl)ethanamine (PubChem CID 61354605) has the molecular formula C6H12N4 and a molecular weight of 140.19 g/mol. Its IUPAC name is 2-(4,5-dimethyl-1,2,4-triazol-3-yl)ethanamine.

Molecular Properties

Compound Name2-(4,5-dimethyl-1,2,4-triazol-3-yl)ethanamine
PubChem CID61354605
Molecular FormulaC6H12N4
Molecular Weight140.19 g/mol
Exact Mass140.11
IUPAC Name2-(4,5-dimethyl-1,2,4-triazol-3-yl)ethanamine
SMILESCc1nnc(CCN)n1C
InChIInChI=1S/C6H12N4/c1-5-8-9-6(3-4-7)10(5)2/h3-4,7H2,1-2H3
InChIKeyTYWRRCQYQXNVEK-UHFFFAOYSA-N
XLogP-0.38
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 ≤ 5-0.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dimethyl-1,2,4-triazol-3-yl)ethanamine?
The IUPAC name of 2-(4,5-dimethyl-1,2,4-triazol-3-yl)ethanamine (CID 61354605) is 2-(4,5-dimethyl-1,2,4-triazol-3-yl)ethanamine.
What is the SMILES notation for 2-(4,5-dimethyl-1,2,4-triazol-3-yl)ethanamine?
The canonical SMILES for 2-(4,5-dimethyl-1,2,4-triazol-3-yl)ethanamine is Cc1nnc(CCN)n1C.
What is the InChIKey of 2-(4,5-dimethyl-1,2,4-triazol-3-yl)ethanamine?
The InChIKey is TYWRRCQYQXNVEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4/c1-5-8-9-6(3-4-7)10(5)2/h3-4,7H2,1-2H3.
What are the key properties of 2-(4,5-dimethyl-1,2,4-triazol-3-yl)ethanamine?
2-(4,5-dimethyl-1,2,4-triazol-3-yl)ethanamine has a molecular weight of 140.19 g/mol, XLogP of -0.38, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dimethyl-1,2,4-triazol-3-yl)ethanamine is sourced from PubChem (CID 61354605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).