2-[4-(1-butan-2-ylpyrazol-4-yl)triazol-1-yl]pyridine

C14H16N6 — CID 166341685

IUPAC2-[4-(1-butan-2-ylpyrazol-4-yl)triazol-1-yl]pyridine
SMILESCCC(C)n1cc(-c2cn(-c3ccccn3)nn2)cn1
InChIInChI=1S/C14H16N6/c1-3-11(2)19-9-12(8-16-19)13-10-20(18-17-13)14-6-4-5-7-15-14/h4-11H,3H2,1-2H3
InChIKeyWVRVKBGMWZMOKH-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.50
Rot. Bonds4

About 2-[4-(1-butan-2-ylpyrazol-4-yl)triazol-1-yl]pyridine

2-[4-(1-butan-2-ylpyrazol-4-yl)triazol-1-yl]pyridine (PubChem CID 166341685) has the molecular formula C14H16N6 and a molecular weight of 268.32 g/mol. Its IUPAC name is 2-[4-(1-butan-2-ylpyrazol-4-yl)triazol-1-yl]pyridine.

Molecular Properties

Compound Name2-[4-(1-butan-2-ylpyrazol-4-yl)triazol-1-yl]pyridine
PubChem CID166341685
Molecular FormulaC14H16N6
Molecular Weight268.32 g/mol
Exact Mass268.14
IUPAC Name2-[4-(1-butan-2-ylpyrazol-4-yl)triazol-1-yl]pyridine
SMILESCCC(C)n1cc(-c2cn(-c3ccccn3)nn2)cn1
InChIInChI=1S/C14H16N6/c1-3-11(2)19-9-12(8-16-19)13-10-20(18-17-13)14-6-4-5-7-15-14/h4-11H,3H2,1-2H3
InChIKeyWVRVKBGMWZMOKH-UHFFFAOYSA-N
XLogP2.50
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-[4-(1-butan-2-ylpyrazol-4-yl)triazol-1-yl]phenyl]acetic acid
CID 167843768
4-[(1R)-1-[4-(1-butan-2-ylpyrazol-4-yl)triazol-1-yl]ethyl]pyridine
CID 167807146
2-[4-[4-(trifluoromethyl)phenyl]triazol-1-yl]pyridine
CID 122389020
N-butan-2-yl-1-pyridin-2-ylpyrazol-4-amine
CID 115922504
1-butan-2-yl-4-(3-iodophenyl)pyrazole
CID 79787415
2-(4-propan-2-ylpyrazol-1-yl)pyridine
CID 58142776
N-[(1-pyridin-2-ylpyrazol-4-yl)methyl]propan-2-amine
CID 61272105
1-butan-2-yl-4-ethylpyrazole
CID 153355505
N-[(1-pyridin-2-ylpyrazol-4-yl)methyl]ethanamine
CID 61271907
N-[2-(4-phenylpyrazol-1-yl)propyl]pentan-3-amine
CID 62769940
4-bromo-1-[(2S)-butan-2-yl]pyrazole
CID 51892128
2-[4-[4-[1-[(2S)-butan-2-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,3-diol;2-[4-[4-[1-[(2S)-pentan-2-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,3-diol;2-[4-[4-[1-[(2R)-pentan-2-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,3-diol
CID 160870266

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-butan-2-ylpyrazol-4-yl)triazol-1-yl]pyridine?
The IUPAC name of 2-[4-(1-butan-2-ylpyrazol-4-yl)triazol-1-yl]pyridine (CID 166341685) is 2-[4-(1-butan-2-ylpyrazol-4-yl)triazol-1-yl]pyridine.
What is the SMILES notation for 2-[4-(1-butan-2-ylpyrazol-4-yl)triazol-1-yl]pyridine?
The canonical SMILES for 2-[4-(1-butan-2-ylpyrazol-4-yl)triazol-1-yl]pyridine is CCC(C)n1cc(-c2cn(-c3ccccn3)nn2)cn1.
What is the InChIKey of 2-[4-(1-butan-2-ylpyrazol-4-yl)triazol-1-yl]pyridine?
The InChIKey is WVRVKBGMWZMOKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6/c1-3-11(2)19-9-12(8-16-19)13-10-20(18-17-13)14-6-4-5-7-15-14/h4-11H,3H2,1-2H3.
What are the key properties of 2-[4-(1-butan-2-ylpyrazol-4-yl)triazol-1-yl]pyridine?
2-[4-(1-butan-2-ylpyrazol-4-yl)triazol-1-yl]pyridine has a molecular weight of 268.32 g/mol, XLogP of 2.50, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-butan-2-ylpyrazol-4-yl)triazol-1-yl]pyridine is sourced from PubChem (CID 166341685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).