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

C9H12N4 — CID 141395362

IUPAC1-ethyl-4-(1H-1,2,4-triazol-5-yl)-2H-pyridine
SMILESCCN1C=CC(c2ncn[nH]2)=CC1
InChIInChI=1S/C9H12N4/c1-2-13-5-3-8(4-6-13)9-10-7-11-12-9/h3-5,7H,2,6H2,1H3,(H,10,11,12)
InChIKeyPQWUBEAHHWUIAY-UHFFFAOYSA-N
MW176.22 g/mol
LogP1.04
Rot. Bonds2

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

1-ethyl-4-(1H-1,2,4-triazol-5-yl)-2H-pyridine (PubChem CID 141395362) has the molecular formula C9H12N4 and a molecular weight of 176.22 g/mol. Its IUPAC name is 1-ethyl-4-(1H-1,2,4-triazol-5-yl)-2H-pyridine.

Molecular Properties

Compound Name1-ethyl-4-(1H-1,2,4-triazol-5-yl)-2H-pyridine
PubChem CID141395362
Molecular FormulaC9H12N4
Molecular Weight176.22 g/mol
Exact Mass176.11
IUPAC Name1-ethyl-4-(1H-1,2,4-triazol-5-yl)-2H-pyridine
SMILESCCN1C=CC(c2ncn[nH]2)=CC1
InChIInChI=1S/C9H12N4/c1-2-13-5-3-8(4-6-13)9-10-7-11-12-9/h3-5,7H,2,6H2,1H3,(H,10,11,12)
InChIKeyPQWUBEAHHWUIAY-UHFFFAOYSA-N
XLogP1.04
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,2,3,4,5-pentamethylbenzene-6-ide;5-(1H-1,2,4-triazol-5-yl)-2H-pyridin-2-ide;tungsten(2+)
CID 59252450
5-[(2E,4Z)-octa-2,4-dien-3-yl]-1H-1,2,4-triazole
CID 117662523
N,N-dimethyl-5-[(2E)-1-methyliminopenta-2,4-dien-2-yl]-1H-1,2,4-triazol-3-amine
CID 123330850
5-cyclohepta-1,3,5,6-tetraen-1-yl-1H-1,2,4-triazole
CID 123560741
5-[(3E)-4-methylhepta-1,3-dien-2-yl]-1H-1,2,4-triazole
CID 124005216
5-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-1H-1,2,4-triazole
CID 129196346
N-[(1Z,3E)-3-(5-methyl-1H-1,2,4-triazol-3-yl)penta-1,3-dienyl]methanimine
CID 132126166
1-methyl-5-(1H-1,2,4-triazol-5-yl)pyridin-2-one
CID 141127086
1-methyl-4-(1H-1,2,4-triazol-5-yl)-2H-pyridine
CID 141395353
1-methyl-3-(1H-1,2,4-triazol-5-yl)-2H-pyridine
CID 141395357
1-methyl-5-(5-methyl-1H-1,2,4-triazol-3-yl)-2,3-dihydroazepine;molecular hydrogen
CID 142136444
4-(5-heptyl-1H-1,2,4-triazol-3-yl)-1-methyl-2H-pyridine
CID 143200385

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-(1H-1,2,4-triazol-5-yl)-2H-pyridine?
The IUPAC name of 1-ethyl-4-(1H-1,2,4-triazol-5-yl)-2H-pyridine (CID 141395362) is 1-ethyl-4-(1H-1,2,4-triazol-5-yl)-2H-pyridine.
What is the SMILES notation for 1-ethyl-4-(1H-1,2,4-triazol-5-yl)-2H-pyridine?
The canonical SMILES for 1-ethyl-4-(1H-1,2,4-triazol-5-yl)-2H-pyridine is CCN1C=CC(c2ncn[nH]2)=CC1.
What is the InChIKey of 1-ethyl-4-(1H-1,2,4-triazol-5-yl)-2H-pyridine?
The InChIKey is PQWUBEAHHWUIAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4/c1-2-13-5-3-8(4-6-13)9-10-7-11-12-9/h3-5,7H,2,6H2,1H3,(H,10,11,12).
What are the key properties of 1-ethyl-4-(1H-1,2,4-triazol-5-yl)-2H-pyridine?
1-ethyl-4-(1H-1,2,4-triazol-5-yl)-2H-pyridine has a molecular weight of 176.22 g/mol, XLogP of 1.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-(1H-1,2,4-triazol-5-yl)-2H-pyridine is sourced from PubChem (CID 141395362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).