6-[3-hydroxy-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-1-yl]pyridine-3-carbonitrile

C15H18N6O — CID 128977041

IUPAC6-[3-hydroxy-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-1-yl]pyridine-3-carbonitrile
SMILESCC(C)n1cc(C2(O)CCN(c3ccc(C#N)cn3)C2)nn1
InChIInChI=1S/C15H18N6O/c1-11(2)21-9-13(18-19-21)15(22)5-6-20(10-15)14-4-3-12(7-16)8-17-14/h3-4,8-9,11,22H,5-6,10H2,1-2H3
InChIKeyYBRALHOUWBIZTD-UHFFFAOYSA-N
MW298.35 g/mol
LogP1.22
Rot. Bonds3

About 6-[3-hydroxy-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-1-yl]pyridine-3-carbonitrile

6-[3-hydroxy-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-1-yl]pyridine-3-carbonitrile (PubChem CID 128977041) has the molecular formula C15H18N6O and a molecular weight of 298.35 g/mol. Its IUPAC name is 6-[3-hydroxy-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-1-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[3-hydroxy-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-1-yl]pyridine-3-carbonitrile
PubChem CID128977041
Molecular FormulaC15H18N6O
Molecular Weight298.35 g/mol
Exact Mass298.15
IUPAC Name6-[3-hydroxy-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-1-yl]pyridine-3-carbonitrile
SMILESCC(C)n1cc(C2(O)CCN(c3ccc(C#N)cn3)C2)nn1
InChIInChI=1S/C15H18N6O/c1-11(2)21-9-13(18-19-21)15(22)5-6-20(10-15)14-4-3-12(7-16)8-17-14/h3-4,8-9,11,22H,5-6,10H2,1-2H3
InChIKeyYBRALHOUWBIZTD-UHFFFAOYSA-N
XLogP1.22
TPSA90.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-[3-hydroxy-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-1-yl]-3-methylpyridine-2-carbonitrile
CID 167783347
4-[(3R)-3-hydroxy-3-(1-propan-2-yltriazol-4-yl)pyrrolidine-1-carbonyl]benzonitrile
CID 129484088
(3S)-1-(6-ethyl-2-methylpyrimidin-4-yl)-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-3-ol
CID 129482942
(3R)-1-(6-ethyl-5-fluoropyrimidin-4-yl)-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-3-ol
CID 129482545
1-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-3-ol
CID 128969626
2-fluoro-6-[(3S)-3-hydroxy-3-(1-propan-2-yltriazol-4-yl)piperidin-1-yl]benzonitrile
CID 129482310
6-(7-acetyl-2,7-diazaspiro[3.5]nonan-2-yl)pyridine-3-carbonitrile
CID 155770067
6-[(5S)-9-(2-methylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]pyridine-3-carbonitrile
CID 97482358
1-(2-ethyl-4-pyridinyl)-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol
CID 138044865
(3S)-1-[(5-chloro-1-methylimidazol-2-yl)methyl]-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-3-ol
CID 129485492
6-(4-propan-2-ylpiperidin-1-yl)pyridine-3-carbonitrile
CID 58431342
1-(2-cyclopropyl-6-methylpyrimidin-4-yl)-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol
CID 128977791

Frequently Asked Questions

What is the IUPAC name of 6-[3-hydroxy-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-1-yl]pyridine-3-carbonitrile?
The IUPAC name of 6-[3-hydroxy-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-1-yl]pyridine-3-carbonitrile (CID 128977041) is 6-[3-hydroxy-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-1-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[3-hydroxy-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-1-yl]pyridine-3-carbonitrile?
The canonical SMILES for 6-[3-hydroxy-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-1-yl]pyridine-3-carbonitrile is CC(C)n1cc(C2(O)CCN(c3ccc(C#N)cn3)C2)nn1.
What is the InChIKey of 6-[3-hydroxy-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-1-yl]pyridine-3-carbonitrile?
The InChIKey is YBRALHOUWBIZTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6O/c1-11(2)21-9-13(18-19-21)15(22)5-6-20(10-15)14-4-3-12(7-16)8-17-14/h3-4,8-9,11,22H,5-6,10H2,1-2H3.
What are the key properties of 6-[3-hydroxy-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-1-yl]pyridine-3-carbonitrile?
6-[3-hydroxy-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-1-yl]pyridine-3-carbonitrile has a molecular weight of 298.35 g/mol, XLogP of 1.22, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-hydroxy-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-1-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 128977041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).