3-[3-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1,2,4-triazol-4-yl]pyridine

C14H16N6 — CID 56709561

IUPAC3-[3-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1,2,4-triazol-4-yl]pyridine
SMILESCc1n[nH]c(C)c1CCc1nncn1-c1cccnc1
InChIInChI=1S/C14H16N6/c1-10-13(11(2)18-17-10)5-6-14-19-16-9-20(14)12-4-3-7-15-8-12/h3-4,7-9H,5-6H2,1-2H3,(H,17,18)
InChIKeyKTCVIPLPIIMKPE-UHFFFAOYSA-N
MW268.32 g/mol
LogP1.79
Rot. Bonds4

About 3-[3-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1,2,4-triazol-4-yl]pyridine

3-[3-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1,2,4-triazol-4-yl]pyridine (PubChem CID 56709561) has the molecular formula C14H16N6 and a molecular weight of 268.32 g/mol. Its IUPAC name is 3-[3-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1,2,4-triazol-4-yl]pyridine.

Molecular Properties

Compound Name3-[3-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1,2,4-triazol-4-yl]pyridine
PubChem CID56709561
Molecular FormulaC14H16N6
Molecular Weight268.32 g/mol
Exact Mass268.14
IUPAC Name3-[3-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1,2,4-triazol-4-yl]pyridine
SMILESCc1n[nH]c(C)c1CCc1nncn1-c1cccnc1
InChIInChI=1S/C14H16N6/c1-10-13(11(2)18-17-10)5-6-14-19-16-9-20(14)12-4-3-7-15-8-12/h3-4,7-9H,5-6H2,1-2H3,(H,17,18)
InChIKeyKTCVIPLPIIMKPE-UHFFFAOYSA-N
XLogP1.79
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Adipiplon
CID 11198924
2-(3-(Pyridin-4-yl)-1H-1,2,4-triazol-5-yl)pyridine
CID 2803172
3-(5-Cyclopropyl-1H-pyrazol-3-yl)-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-3H-imidazo[4,5-b]pyridin-5-amine
CID 25115964
CID 138105936
CID 138105936
3,5-bis(2-methylpyridin-4-yl)-1H-1,2,4-triazole
CID 20309751
Pyrazole 79
CID 23647348
3-(4-Amino-6-Methyl-1,3,5-Triazin-2-Yl)-N-(1h-Pyrazol-5-Yl)imidazo[1,2-A]pyridin-2-Amine
CID 49835055
5-Bromo-N~4~-(3-Methyl-1h-Pyrazol-5-Yl)-N~2~-[2-(Pyridin-3-Yl)ethyl]pyrimidine-2,4-Diamine
CID 56973548
3-(1H-Indazol-5-yl)-N-propylimidazo(1,2-b)pyridazin-6-amine
CID 70679308
N-{6-[(2s)-2-Methylpyrrolidin-1-Yl]pyridin-2-Yl}-6-Phenylimidazo[1,2-B]pyridazin-8-Amine
CID 71525988
2-(1h-Pyrazol-4-Yl)-7-(Pyridin-3-Yl)-5h-Pyrrolo[2,3-B]pyrazine
CID 90104994
7-{[1-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl}-1H-[1,2,3]triazolo[4,5-b]pyridin-5-amine
CID 126649391

Frequently Asked Questions

What is the IUPAC name of 3-[3-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1,2,4-triazol-4-yl]pyridine?
The IUPAC name of 3-[3-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1,2,4-triazol-4-yl]pyridine (CID 56709561) is 3-[3-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1,2,4-triazol-4-yl]pyridine.
What is the SMILES notation for 3-[3-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1,2,4-triazol-4-yl]pyridine?
The canonical SMILES for 3-[3-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1,2,4-triazol-4-yl]pyridine is Cc1n[nH]c(C)c1CCc1nncn1-c1cccnc1.
What is the InChIKey of 3-[3-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1,2,4-triazol-4-yl]pyridine?
The InChIKey is KTCVIPLPIIMKPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6/c1-10-13(11(2)18-17-10)5-6-14-19-16-9-20(14)12-4-3-7-15-8-12/h3-4,7-9H,5-6H2,1-2H3,(H,17,18).
What are the key properties of 3-[3-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1,2,4-triazol-4-yl]pyridine?
3-[3-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1,2,4-triazol-4-yl]pyridine has a molecular weight of 268.32 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1,2,4-triazol-4-yl]pyridine is sourced from PubChem (CID 56709561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).