3-[(3R)-3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]pyrazine-2-carbonitrile

C15H19N7 — CID 97086014

IUPAC3-[(3R)-3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]pyrazine-2-carbonitrile
SMILESCC(C)n1cnnc1[C@@H]1CCCN(c2nccnc2C#N)C1
InChIInChI=1S/C15H19N7/c1-11(2)22-10-19-20-14(22)12-4-3-7-21(9-12)15-13(8-16)17-5-6-18-15/h5-6,10-12H,3-4,7,9H2,1-2H3/t12-/m1/s1
InChIKeyRNSNXHSZJMMVPS-GFCCVEGCSA-N
MW297.37 g/mol
LogP1.90
Rot. Bonds3

About 3-[(3R)-3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]pyrazine-2-carbonitrile

3-[(3R)-3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]pyrazine-2-carbonitrile (PubChem CID 97086014) has the molecular formula C15H19N7 and a molecular weight of 297.37 g/mol. Its IUPAC name is 3-[(3R)-3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-[(3R)-3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]pyrazine-2-carbonitrile
PubChem CID97086014
Molecular FormulaC15H19N7
Molecular Weight297.37 g/mol
Exact Mass297.17
IUPAC Name3-[(3R)-3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]pyrazine-2-carbonitrile
SMILESCC(C)n1cnnc1[C@@H]1CCCN(c2nccnc2C#N)C1
InChIInChI=1S/C15H19N7/c1-11(2)22-10-19-20-14(22)12-4-3-7-21(9-12)15-13(8-16)17-5-6-18-15/h5-6,10-12H,3-4,7,9H2,1-2H3/t12-/m1/s1
InChIKeyRNSNXHSZJMMVPS-GFCCVEGCSA-N
XLogP1.90
TPSA83.52 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.37
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-[(3R)-3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]pyrazine-2-carbonitrile with MolForge

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Launch Full Analysis

Related Compounds

3-fluoro-4-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]benzonitrile
CID 133448595
3-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]pyrazine-2-carbonitrile
CID 63241718
3-methyl-2-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]quinoline
CID 133448836
3-cyclobutyl-4-propan-2-yl-1,2,4-triazole
CID 115393971
4-chloro-5-ethyl-2-methyl-6-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]pyrimidine
CID 133448919
8-methyl-4-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]quinoline
CID 133448951
3-(4-propan-2-ylpiperidin-1-yl)pyrazine-2-carbonitrile
CID 59598857
3-(3-morpholin-4-ylpiperidin-1-yl)pyrazine-2-carbonitrile
CID 172905390
2-methyl-6-[(3R)-3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine-1-carbonyl]pyridine-3-carbonitrile
CID 124606695
2-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]quinazolin-4-amine
CID 133448924
1-(2-methylsulfonylphenyl)-3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine
CID 133448976
3-nitro-2-[4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]pyridine-4-carbonitrile
CID 75517737

Frequently Asked Questions

What is the IUPAC name of 3-[(3R)-3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]pyrazine-2-carbonitrile?
The IUPAC name of 3-[(3R)-3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]pyrazine-2-carbonitrile (CID 97086014) is 3-[(3R)-3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]pyrazine-2-carbonitrile.
What is the SMILES notation for 3-[(3R)-3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]pyrazine-2-carbonitrile?
The canonical SMILES for 3-[(3R)-3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]pyrazine-2-carbonitrile is CC(C)n1cnnc1[C@@H]1CCCN(c2nccnc2C#N)C1.
What is the InChIKey of 3-[(3R)-3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]pyrazine-2-carbonitrile?
The InChIKey is RNSNXHSZJMMVPS-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H19N7/c1-11(2)22-10-19-20-14(22)12-4-3-7-21(9-12)15-13(8-16)17-5-6-18-15/h5-6,10-12H,3-4,7,9H2,1-2H3/t12-/m1/s1.
What are the key properties of 3-[(3R)-3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]pyrazine-2-carbonitrile?
3-[(3R)-3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]pyrazine-2-carbonitrile has a molecular weight of 297.37 g/mol, XLogP of 1.90, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R)-3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]pyrazine-2-carbonitrile is sourced from PubChem (CID 97086014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).