2-(5-ethyl-1H-1,2,4-triazol-3-yl)-1,2-dihydropyridine

C9H12N4 — CID 5247902

IUPAC2-(5-ethyl-1H-1,2,4-triazol-3-yl)-1,2-dihydropyridine
SMILESCCc1nc(C2C=CC=CN2)n[nH]1
InChIInChI=1S/C9H12N4/c1-2-8-11-9(13-12-8)7-5-3-4-6-10-7/h3-7,10H,2H2,1H3,(H,11,12,13)
InChIKeyMFIXKPDEWGQFBK-UHFFFAOYSA-N
MW176.22 g/mol
LogP1.08
Rot. Bonds2

About 2-(5-ethyl-1H-1,2,4-triazol-3-yl)-1,2-dihydropyridine

2-(5-ethyl-1H-1,2,4-triazol-3-yl)-1,2-dihydropyridine (PubChem CID 5247902) has the molecular formula C9H12N4 and a molecular weight of 176.22 g/mol. Its IUPAC name is 2-(5-ethyl-1H-1,2,4-triazol-3-yl)-1,2-dihydropyridine.

Molecular Properties

Compound Name2-(5-ethyl-1H-1,2,4-triazol-3-yl)-1,2-dihydropyridine
PubChem CID5247902
Molecular FormulaC9H12N4
Molecular Weight176.22 g/mol
Exact Mass176.11
IUPAC Name2-(5-ethyl-1H-1,2,4-triazol-3-yl)-1,2-dihydropyridine
SMILESCCc1nc(C2C=CC=CN2)n[nH]1
InChIInChI=1S/C9H12N4/c1-2-8-11-9(13-12-8)7-5-3-4-6-10-7/h3-7,10H,2H2,1H3,(H,11,12,13)
InChIKeyMFIXKPDEWGQFBK-UHFFFAOYSA-N
XLogP1.08
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-fluoro-1-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-3,6-dihydro-2H-pyridine
CID 126790384
5-fluoro-1-[(1R)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-3,6-dihydro-2H-pyridine
CID 129348535
5-fluoro-1-[(1S)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-3,6-dihydro-2H-pyridine
CID 129348536
2-(3-amino-1H-1,2,4-triazol-5-yl)-1H-pyridin-2-amine;hydrate
CID 23454791
N-(3,4-dihydropyridin-6-ylmethyl)-2-(5-methyl-1H-1,2,4-triazol-3-yl)cyclohexa-1,3-dien-1-amine
CID 68029945
(Z)-N-ethenyl-1-(5-methyl-1H-1,2,4-triazol-3-yl)but-2-en-1-imine
CID 137296344
ethane;[3-[(1E,3Z)-1-(methylideneamino)penta-1,3-dien-2-yl]-1H-1,2,4-triazol-5-yl]methanamine
CID 141879699
1-[5-(2,3-dihydropyridin-6-yl)-1H-1,2,4-triazol-3-yl]ethenylhydrazine
CID 141937670
(Z)-N-methylbut-1-en-1-amine;5-methyl-3-[(E)-prop-1-enyl]-1H-1,2,4-triazole
CID 142136410
1-methyl-5-(5-methyl-1H-1,2,4-triazol-3-yl)-2,3-dihydroazepine;molecular hydrogen
CID 142136444
ethane;2-methyl-5-(5-methyl-1H-1,2,4-triazol-3-yl)-1,8a-dihydroquinoline
CID 142265870
ethane;N-ethyl-1-[3-[(Z)-3-iminobut-1-enyl]-1H-1,2,4-triazol-5-yl]propan-1-amine
CID 145536085

Frequently Asked Questions

What is the IUPAC name of 2-(5-ethyl-1H-1,2,4-triazol-3-yl)-1,2-dihydropyridine?
The IUPAC name of 2-(5-ethyl-1H-1,2,4-triazol-3-yl)-1,2-dihydropyridine (CID 5247902) is 2-(5-ethyl-1H-1,2,4-triazol-3-yl)-1,2-dihydropyridine.
What is the SMILES notation for 2-(5-ethyl-1H-1,2,4-triazol-3-yl)-1,2-dihydropyridine?
The canonical SMILES for 2-(5-ethyl-1H-1,2,4-triazol-3-yl)-1,2-dihydropyridine is CCc1nc(C2C=CC=CN2)n[nH]1.
What is the InChIKey of 2-(5-ethyl-1H-1,2,4-triazol-3-yl)-1,2-dihydropyridine?
The InChIKey is MFIXKPDEWGQFBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4/c1-2-8-11-9(13-12-8)7-5-3-4-6-10-7/h3-7,10H,2H2,1H3,(H,11,12,13).
What are the key properties of 2-(5-ethyl-1H-1,2,4-triazol-3-yl)-1,2-dihydropyridine?
2-(5-ethyl-1H-1,2,4-triazol-3-yl)-1,2-dihydropyridine has a molecular weight of 176.22 g/mol, XLogP of 1.08, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethyl-1H-1,2,4-triazol-3-yl)-1,2-dihydropyridine is sourced from PubChem (CID 5247902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).