1,3-dimethyl-2,4-dioxo-6-[(2R)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]pyrimidine-5-carbonitrile

C15H19N7O2 — CID 95599929

IUPAC1,3-dimethyl-2,4-dioxo-6-[(2R)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]pyrimidine-5-carbonitrile
SMILESCn1c(N2CCCC[C@@H]2Cn2cncn2)c(C#N)c(=O)n(C)c1=O
InChIInChI=1S/C15H19N7O2/c1-19-13(12(7-16)14(23)20(2)15(19)24)22-6-4-3-5-11(22)8-21-10-17-9-18-21/h9-11H,3-6,8H2,1-2H3/t11-/m1/s1
InChIKeyWOAUUHDRZNFGQS-LLVKDONJSA-N
MW329.36 g/mol
LogP-0.39
Rot. Bonds3

About 1,3-dimethyl-2,4-dioxo-6-[(2R)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]pyrimidine-5-carbonitrile

1,3-dimethyl-2,4-dioxo-6-[(2R)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]pyrimidine-5-carbonitrile (PubChem CID 95599929) has the molecular formula C15H19N7O2 and a molecular weight of 329.36 g/mol. Its IUPAC name is 1,3-dimethyl-2,4-dioxo-6-[(2R)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name1,3-dimethyl-2,4-dioxo-6-[(2R)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]pyrimidine-5-carbonitrile
PubChem CID95599929
Molecular FormulaC15H19N7O2
Molecular Weight329.36 g/mol
Exact Mass329.16
IUPAC Name1,3-dimethyl-2,4-dioxo-6-[(2R)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]pyrimidine-5-carbonitrile
SMILESCn1c(N2CCCC[C@@H]2Cn2cncn2)c(C#N)c(=O)n(C)c1=O
InChIInChI=1S/C15H19N7O2/c1-19-13(12(7-16)14(23)20(2)15(19)24)22-6-4-3-5-11(22)8-21-10-17-9-18-21/h9-11H,3-6,8H2,1-2H3/t11-/m1/s1
InChIKeyWOAUUHDRZNFGQS-LLVKDONJSA-N
XLogP-0.39
TPSA101.74 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 5-0.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

4-[2-(2-hydroxyethyl)piperidin-1-yl]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile
CID 78835644
1,3-dimethyl-4-[2-[2-(1-methylpyrazol-4-yl)-2-oxoethyl]pyrrolidin-1-yl]-2,6-dioxopyrimidine-5-carbonitrile
CID 133423214
4-[(2S)-2-[(2S)-1-acetylpyrrolidin-2-yl]pyrrolidin-1-yl]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile
CID 95346405
6-[(2S)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]pyridine-3-carbonitrile
CID 95305714
1,3-dimethyl-2,4-dioxo-6-[(2R)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]pyrimidine-5-carbonitrile
CID 95978040
4-[[(2R)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]benzonitrile
CID 95609800
3-[2-[(2R)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]ethyl]imidazolidine-2,4-dione
CID 95609927
4-methoxy-2-[(2R)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]pyrimidine
CID 95764298
1-[3-[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propyl]pyrrolidin-2-one
CID 56780658
3-[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]oxolan-2-one
CID 56802708
1-[[(2R)-1-(2-chloro-4-nitrophenyl)pyrrolidin-2-yl]methyl]-1,2,4-triazole
CID 97186325
4-[(2R,5S)-2-ethyl-5-methylpyrrolidin-1-yl]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile
CID 97256000

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-2,4-dioxo-6-[(2R)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]pyrimidine-5-carbonitrile?
The IUPAC name of 1,3-dimethyl-2,4-dioxo-6-[(2R)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]pyrimidine-5-carbonitrile (CID 95599929) is 1,3-dimethyl-2,4-dioxo-6-[(2R)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]pyrimidine-5-carbonitrile.
What is the SMILES notation for 1,3-dimethyl-2,4-dioxo-6-[(2R)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]pyrimidine-5-carbonitrile?
The canonical SMILES for 1,3-dimethyl-2,4-dioxo-6-[(2R)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]pyrimidine-5-carbonitrile is Cn1c(N2CCCC[C@@H]2Cn2cncn2)c(C#N)c(=O)n(C)c1=O.
What is the InChIKey of 1,3-dimethyl-2,4-dioxo-6-[(2R)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]pyrimidine-5-carbonitrile?
The InChIKey is WOAUUHDRZNFGQS-LLVKDONJSA-N. The full InChI is InChI=1S/C15H19N7O2/c1-19-13(12(7-16)14(23)20(2)15(19)24)22-6-4-3-5-11(22)8-21-10-17-9-18-21/h9-11H,3-6,8H2,1-2H3/t11-/m1/s1.
What are the key properties of 1,3-dimethyl-2,4-dioxo-6-[(2R)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]pyrimidine-5-carbonitrile?
1,3-dimethyl-2,4-dioxo-6-[(2R)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]pyrimidine-5-carbonitrile has a molecular weight of 329.36 g/mol, XLogP of -0.39, 3 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-2,4-dioxo-6-[(2R)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]pyrimidine-5-carbonitrile is sourced from PubChem (CID 95599929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).