ethane;4-propan-2-yl-2-(triazol-1-yl)pyridine

C12H18N4 — CID 164878129

IUPACethane;4-propan-2-yl-2-(triazol-1-yl)pyridine
SMILESCC.CC(C)c1ccnc(-n2ccnn2)c1
InChIInChI=1S/C10H12N4.C2H6/c1-8(2)9-3-4-11-10(7-9)14-6-5-12-13-14;1-2/h3-8H,1-2H3;1-2H3
InChIKeyOMGIYCMCDWECEI-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.81
Rot. Bonds2

About ethane;4-propan-2-yl-2-(triazol-1-yl)pyridine

ethane;4-propan-2-yl-2-(triazol-1-yl)pyridine (PubChem CID 164878129) has the molecular formula C12H18N4 and a molecular weight of 218.30 g/mol. Its IUPAC name is ethane;4-propan-2-yl-2-(triazol-1-yl)pyridine.

Molecular Properties

Compound Nameethane;4-propan-2-yl-2-(triazol-1-yl)pyridine
PubChem CID164878129
Molecular FormulaC12H18N4
Molecular Weight218.30 g/mol
Exact Mass218.15
IUPAC Nameethane;4-propan-2-yl-2-(triazol-1-yl)pyridine
SMILESCC.CC(C)c1ccnc(-n2ccnn2)c1
InChIInChI=1S/C10H12N4.C2H6/c1-8(2)9-3-4-11-10(7-9)14-6-5-12-13-14;1-2/h3-8H,1-2H3;1-2H3
InChIKeyOMGIYCMCDWECEI-UHFFFAOYSA-N
XLogP2.81
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-2-(triazol-1-yl)pyridine
CID 84689537
4-fluoro-2-(triazol-1-yl)pyridine
CID 142795340
2-(2,5-dimethylpyrrol-1-yl)-4-propan-2-ylpyridine
CID 175245407
4-propan-2-yl-2-(4-propan-2-yl-2-pyridinyl)pyridine
CID 15771889
CID 166491542
CID 166491542
1-(4-propan-2-yl-2-pyridinyl)ethanol
CID 45096260
1-propan-2-yl-3-(4-propan-2-yl-2-pyridinyl)imidazolidin-2-one
CID 139481498
2,4-di(propan-2-yl)pyridine;2,6-di(propan-2-yl)pyridine;ethane
CID 159523313
2-bromo-9-(4-propan-2-yl-2-pyridinyl)carbazole
CID 118915707
ethane;N-(4-propan-2-yl-2-pyridinyl)acetamide
CID 166478148
ethane;3-(1-fluoroethyl)-2-(triazol-1-yl)pyridine
CID 145450746
4-propan-2-yl-2-[3-(trifluoromethyl)pyrrolidin-1-yl]pyridine
CID 130437349

Frequently Asked Questions

What is the IUPAC name of ethane;4-propan-2-yl-2-(triazol-1-yl)pyridine?
The IUPAC name of ethane;4-propan-2-yl-2-(triazol-1-yl)pyridine (CID 164878129) is ethane;4-propan-2-yl-2-(triazol-1-yl)pyridine.
What is the SMILES notation for ethane;4-propan-2-yl-2-(triazol-1-yl)pyridine?
The canonical SMILES for ethane;4-propan-2-yl-2-(triazol-1-yl)pyridine is CC.CC(C)c1ccnc(-n2ccnn2)c1.
What is the InChIKey of ethane;4-propan-2-yl-2-(triazol-1-yl)pyridine?
The InChIKey is OMGIYCMCDWECEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4.C2H6/c1-8(2)9-3-4-11-10(7-9)14-6-5-12-13-14;1-2/h3-8H,1-2H3;1-2H3.
What are the key properties of ethane;4-propan-2-yl-2-(triazol-1-yl)pyridine?
ethane;4-propan-2-yl-2-(triazol-1-yl)pyridine has a molecular weight of 218.30 g/mol, XLogP of 2.81, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-propan-2-yl-2-(triazol-1-yl)pyridine is sourced from PubChem (CID 164878129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).