4-methyl-3-[4-(oxan-3-yl)triazol-1-yl]pyridine

C13H16N4O — CID 167847693

IUPAC4-methyl-3-[4-(oxan-3-yl)triazol-1-yl]pyridine
SMILESCc1ccncc1-n1cc(C2CCCOC2)nn1
InChIInChI=1S/C13H16N4O/c1-10-4-5-14-7-13(10)17-8-12(15-16-17)11-3-2-6-18-9-11/h4-5,7-8,11H,2-3,6,9H2,1H3
InChIKeyVJVYIIVQCRATDG-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.86
Rot. Bonds2

About 4-methyl-3-[4-(oxan-3-yl)triazol-1-yl]pyridine

4-methyl-3-[4-(oxan-3-yl)triazol-1-yl]pyridine (PubChem CID 167847693) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 4-methyl-3-[4-(oxan-3-yl)triazol-1-yl]pyridine.

Molecular Properties

Compound Name4-methyl-3-[4-(oxan-3-yl)triazol-1-yl]pyridine
PubChem CID167847693
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name4-methyl-3-[4-(oxan-3-yl)triazol-1-yl]pyridine
SMILESCc1ccncc1-n1cc(C2CCCOC2)nn1
InChIInChI=1S/C13H16N4O/c1-10-4-5-14-7-13(10)17-8-12(15-16-17)11-3-2-6-18-9-11/h4-5,7-8,11H,2-3,6,9H2,1H3
InChIKeyVJVYIIVQCRATDG-UHFFFAOYSA-N
XLogP1.86
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-4-[(3R)-oxan-3-yl]triazole
CID 164914057
3,4-dichloro-6-(oxan-3-yl)pyridazine
CID 117105547
(4-methyl-3-pyridinyl)-(oxan-3-yl)methanol
CID 66273091
5-methyl-2-(oxan-3-yl)imidazo[1,2-a]pyridine
CID 117131634
1-chloro-5-(oxan-3-yl)pyrazole
CID 175561958
2-(oxolan-3-yl)imidazo[1,2-a]pyrazine
CID 104756413
3-cycloheptyl-4-methylpyridine
CID 146408954
1-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-4-[(3R)-oxolan-3-yl]triazole
CID 97125291
4-(oxolan-3-yl)-1-(4-phenylmethoxyphenyl)triazole
CID 167762154
(3R)-4-[(1-isoquinolin-5-yltriazol-4-yl)methyl]-3-methylmorpholine
CID 154787561
4-methyl-3-(oxan-3-yl)-1,2,4-triazole
CID 115395411
N-methyl-4-[4-(3-methyl-4-pyridinyl)piperazin-1-yl]-6-[(3R)-oxolan-3-yl]pyrimidin-2-amine
CID 125164949

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[4-(oxan-3-yl)triazol-1-yl]pyridine?
The IUPAC name of 4-methyl-3-[4-(oxan-3-yl)triazol-1-yl]pyridine (CID 167847693) is 4-methyl-3-[4-(oxan-3-yl)triazol-1-yl]pyridine.
What is the SMILES notation for 4-methyl-3-[4-(oxan-3-yl)triazol-1-yl]pyridine?
The canonical SMILES for 4-methyl-3-[4-(oxan-3-yl)triazol-1-yl]pyridine is Cc1ccncc1-n1cc(C2CCCOC2)nn1.
What is the InChIKey of 4-methyl-3-[4-(oxan-3-yl)triazol-1-yl]pyridine?
The InChIKey is VJVYIIVQCRATDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-10-4-5-14-7-13(10)17-8-12(15-16-17)11-3-2-6-18-9-11/h4-5,7-8,11H,2-3,6,9H2,1H3.
What are the key properties of 4-methyl-3-[4-(oxan-3-yl)triazol-1-yl]pyridine?
4-methyl-3-[4-(oxan-3-yl)triazol-1-yl]pyridine has a molecular weight of 244.30 g/mol, XLogP of 1.86, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[4-(oxan-3-yl)triazol-1-yl]pyridine is sourced from PubChem (CID 167847693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).