3-[(3R)-3-methylpiperazin-1-yl]-5-(1-methylpyrazol-4-yl)pyrazine-2-carbonitrile

C14H17N7 — CID 142606379

IUPAC3-[(3R)-3-methylpiperazin-1-yl]-5-(1-methylpyrazol-4-yl)pyrazine-2-carbonitrile
SMILESC[C@@H]1CN(c2nc(-c3cnn(C)c3)cnc2C#N)CCN1
InChIInChI=1S/C14H17N7/c1-10-8-21(4-3-16-10)14-12(5-15)17-7-13(19-14)11-6-18-20(2)9-11/h6-7,9-10,16H,3-4,8H2,1-2H3/t10-/m1/s1
InChIKeySMKOOMBRFXQOFH-SNVBAGLBSA-N
MW283.34 g/mol
LogP0.55
Rot. Bonds2

About 3-[(3R)-3-methylpiperazin-1-yl]-5-(1-methylpyrazol-4-yl)pyrazine-2-carbonitrile

3-[(3R)-3-methylpiperazin-1-yl]-5-(1-methylpyrazol-4-yl)pyrazine-2-carbonitrile (PubChem CID 142606379) has the molecular formula C14H17N7 and a molecular weight of 283.34 g/mol. Its IUPAC name is 3-[(3R)-3-methylpiperazin-1-yl]-5-(1-methylpyrazol-4-yl)pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-[(3R)-3-methylpiperazin-1-yl]-5-(1-methylpyrazol-4-yl)pyrazine-2-carbonitrile
PubChem CID142606379
Molecular FormulaC14H17N7
Molecular Weight283.34 g/mol
Exact Mass283.15
IUPAC Name3-[(3R)-3-methylpiperazin-1-yl]-5-(1-methylpyrazol-4-yl)pyrazine-2-carbonitrile
SMILESC[C@@H]1CN(c2nc(-c3cnn(C)c3)cnc2C#N)CCN1
InChIInChI=1S/C14H17N7/c1-10-8-21(4-3-16-10)14-12(5-15)17-7-13(19-14)11-6-18-20(2)9-11/h6-7,9-10,16H,3-4,8H2,1-2H3/t10-/m1/s1
InChIKeySMKOOMBRFXQOFH-SNVBAGLBSA-N
XLogP0.55
TPSA82.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.34
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(3S)-3-methyl-1-[5-(1-methylpyrazol-4-yl)-1H-1,2,4-triazol-3-yl]piperazine
CID 102798174
7-(3-methylpiperazin-1-yl)-2-(1-methylpyrazol-4-yl)pyrido[1,2-a]pyrimidin-4-one
CID 123177100
2-[(3S)-3-methylpiperazin-1-yl]pyridine-3-carbonitrile
CID 58826334
2,5-dimethyl-3-[(3R)-3-methylpiperazin-1-yl]pyrazine
CID 94450674
5-[(3S)-3-methylpiperazin-1-yl]pyridine-2-carbonitrile
CID 104977608
(2R)-4-[5-cyano-6-(1-methylpyrazol-4-yl)pyrazin-2-yl]-2-methylpiperazine-1-carboxylic acid
CID 151298400
(3S)-3-methyl-1-[(1-methylpyrazol-4-yl)methyl]piperazine
CID 103885638
1-[(3S)-3-methylpiperazin-1-yl]-3-pyridin-4-yl-2,6-naphthyridine
CID 68596700
4-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-(1-methylpyrazol-4-yl)pyrimidine-5-carbonitrile
CID 148918889
4-[(3R)-3-methylpiperazin-1-yl]cinnoline-3-carbonitrile
CID 104976097
[5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazol-4-yl]-[(3R)-3-methylpiperazin-1-yl]methanone
CID 124614105
2-(1-methylpyrazol-4-yl)-5-[(2R)-piperidin-2-yl]pyridine
CID 124641020

Frequently Asked Questions

What is the IUPAC name of 3-[(3R)-3-methylpiperazin-1-yl]-5-(1-methylpyrazol-4-yl)pyrazine-2-carbonitrile?
The IUPAC name of 3-[(3R)-3-methylpiperazin-1-yl]-5-(1-methylpyrazol-4-yl)pyrazine-2-carbonitrile (CID 142606379) is 3-[(3R)-3-methylpiperazin-1-yl]-5-(1-methylpyrazol-4-yl)pyrazine-2-carbonitrile.
What is the SMILES notation for 3-[(3R)-3-methylpiperazin-1-yl]-5-(1-methylpyrazol-4-yl)pyrazine-2-carbonitrile?
The canonical SMILES for 3-[(3R)-3-methylpiperazin-1-yl]-5-(1-methylpyrazol-4-yl)pyrazine-2-carbonitrile is C[C@@H]1CN(c2nc(-c3cnn(C)c3)cnc2C#N)CCN1.
What is the InChIKey of 3-[(3R)-3-methylpiperazin-1-yl]-5-(1-methylpyrazol-4-yl)pyrazine-2-carbonitrile?
The InChIKey is SMKOOMBRFXQOFH-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H17N7/c1-10-8-21(4-3-16-10)14-12(5-15)17-7-13(19-14)11-6-18-20(2)9-11/h6-7,9-10,16H,3-4,8H2,1-2H3/t10-/m1/s1.
What are the key properties of 3-[(3R)-3-methylpiperazin-1-yl]-5-(1-methylpyrazol-4-yl)pyrazine-2-carbonitrile?
3-[(3R)-3-methylpiperazin-1-yl]-5-(1-methylpyrazol-4-yl)pyrazine-2-carbonitrile has a molecular weight of 283.34 g/mol, XLogP of 0.55, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R)-3-methylpiperazin-1-yl]-5-(1-methylpyrazol-4-yl)pyrazine-2-carbonitrile is sourced from PubChem (CID 142606379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).