6-(3,5-diethyl-1,2,4-triazol-1-yl)-N-methylpyridin-2-amine

C12H17N5 — CID 80868281

IUPAC6-(3,5-diethyl-1,2,4-triazol-1-yl)-N-methylpyridin-2-amine
SMILESCCc1nc(CC)n(-c2cccc(NC)n2)n1
InChIInChI=1S/C12H17N5/c1-4-9-14-11(5-2)17(16-9)12-8-6-7-10(13-3)15-12/h6-8H,4-5H2,1-3H3,(H,13,15)
InChIKeyALZCWQKIYIZVAW-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.83
Rot. Bonds4

About 6-(3,5-diethyl-1,2,4-triazol-1-yl)-N-methylpyridin-2-amine

6-(3,5-diethyl-1,2,4-triazol-1-yl)-N-methylpyridin-2-amine (PubChem CID 80868281) has the molecular formula C12H17N5 and a molecular weight of 231.30 g/mol. Its IUPAC name is 6-(3,5-diethyl-1,2,4-triazol-1-yl)-N-methylpyridin-2-amine.

Molecular Properties

Compound Name6-(3,5-diethyl-1,2,4-triazol-1-yl)-N-methylpyridin-2-amine
PubChem CID80868281
Molecular FormulaC12H17N5
Molecular Weight231.30 g/mol
Exact Mass231.15
IUPAC Name6-(3,5-diethyl-1,2,4-triazol-1-yl)-N-methylpyridin-2-amine
SMILESCCc1nc(CC)n(-c2cccc(NC)n2)n1
InChIInChI=1S/C12H17N5/c1-4-9-14-11(5-2)17(16-9)12-8-6-7-10(13-3)15-12/h6-8H,4-5H2,1-3H3,(H,13,15)
InChIKeyALZCWQKIYIZVAW-UHFFFAOYSA-N
XLogP1.83
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(3,5-diethyl-1,2,4-triazol-1-yl)-N-ethylpyridin-2-amine
CID 80867855
2-tert-butyl-6-(3,5-diethyl-1,2,4-triazol-1-yl)-N-methylpyrimidin-4-amine
CID 80956877
6-(3,5-diethyl-1,2,4-triazol-1-yl)-N-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80966779
6-(3,5-diethyl-1,2,4-triazol-1-yl)-5-ethyl-N-methylpyrimidin-4-amine
CID 80867685
[2-(3,5-diethyl-1,2,4-triazol-1-yl)-6-fluorophenyl]methanol
CID 114065334
[2-tert-butyl-6-(3,5-diethyl-1,2,4-triazol-1-yl)pyrimidin-4-yl]hydrazine
CID 80968521
[6-(3,5-diethyl-1,2,4-triazol-1-yl)pyrimidin-4-yl]hydrazine
CID 80902698
5-chloro-4-(3,5-diethyl-1,2,4-triazol-1-yl)-N-methylpyrimidin-2-amine
CID 80867774
2-(3,5-diethyl-1,2,4-triazol-1-yl)-3-methylbenzoic acid
CID 107112511
1-[3-(3,5-diethyl-1,2,4-triazol-1-yl)-4-methylphenyl]-N-methylmethanamine
CID 105406400
(1R)-1-[2-(3,5-diethyl-1,2,4-triazol-1-yl)phenyl]ethanol
CID 79013978
2-tert-butyl-6-(3,5-diethyl-1,2,4-triazol-1-yl)pyrimidin-4-amine
CID 80965269

Frequently Asked Questions

What is the IUPAC name of 6-(3,5-diethyl-1,2,4-triazol-1-yl)-N-methylpyridin-2-amine?
The IUPAC name of 6-(3,5-diethyl-1,2,4-triazol-1-yl)-N-methylpyridin-2-amine (CID 80868281) is 6-(3,5-diethyl-1,2,4-triazol-1-yl)-N-methylpyridin-2-amine.
What is the SMILES notation for 6-(3,5-diethyl-1,2,4-triazol-1-yl)-N-methylpyridin-2-amine?
The canonical SMILES for 6-(3,5-diethyl-1,2,4-triazol-1-yl)-N-methylpyridin-2-amine is CCc1nc(CC)n(-c2cccc(NC)n2)n1.
What is the InChIKey of 6-(3,5-diethyl-1,2,4-triazol-1-yl)-N-methylpyridin-2-amine?
The InChIKey is ALZCWQKIYIZVAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5/c1-4-9-14-11(5-2)17(16-9)12-8-6-7-10(13-3)15-12/h6-8H,4-5H2,1-3H3,(H,13,15).
What are the key properties of 6-(3,5-diethyl-1,2,4-triazol-1-yl)-N-methylpyridin-2-amine?
6-(3,5-diethyl-1,2,4-triazol-1-yl)-N-methylpyridin-2-amine has a molecular weight of 231.30 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-diethyl-1,2,4-triazol-1-yl)-N-methylpyridin-2-amine is sourced from PubChem (CID 80868281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).