3-(cyclopropylamino)-5-piperidin-1-ylpyrazine-2-carbonitrile

C13H17N5 — CID 144858009

IUPAC3-(cyclopropylamino)-5-piperidin-1-ylpyrazine-2-carbonitrile
SMILESN#Cc1ncc(N2CCCCC2)nc1NC1CC1
InChIInChI=1S/C13H17N5/c14-8-11-13(16-10-4-5-10)17-12(9-15-11)18-6-2-1-3-7-18/h9-10H,1-7H2,(H,16,17)
InChIKeySYHPTFACIRMFBQ-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.91
Rot. Bonds3

About 3-(cyclopropylamino)-5-piperidin-1-ylpyrazine-2-carbonitrile

3-(cyclopropylamino)-5-piperidin-1-ylpyrazine-2-carbonitrile (PubChem CID 144858009) has the molecular formula C13H17N5 and a molecular weight of 243.31 g/mol. Its IUPAC name is 3-(cyclopropylamino)-5-piperidin-1-ylpyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-(cyclopropylamino)-5-piperidin-1-ylpyrazine-2-carbonitrile
PubChem CID144858009
Molecular FormulaC13H17N5
Molecular Weight243.31 g/mol
Exact Mass243.15
IUPAC Name3-(cyclopropylamino)-5-piperidin-1-ylpyrazine-2-carbonitrile
SMILESN#Cc1ncc(N2CCCCC2)nc1NC1CC1
InChIInChI=1S/C13H17N5/c14-8-11-13(16-10-4-5-10)17-12(9-15-11)18-6-2-1-3-7-18/h9-10H,1-7H2,(H,16,17)
InChIKeySYHPTFACIRMFBQ-UHFFFAOYSA-N
XLogP1.91
TPSA64.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(cyclooctylamino)pyrazine-2-carbonitrile
CID 62671623
N-cyclopropyl-5-piperidin-1-yl-1,2,4-triazin-3-amine
CID 112939289
N-cyclohexyl-5-pyrrolidin-1-yl-1,2,4-triazin-3-amine
CID 112941042
3-[[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]amino]pyrazine-2-carbonitrile
CID 133283191
N-[(3R)-1-(6-chloro-5-cyanopyrazin-2-yl)piperidin-3-yl]acetamide
CID 118146345
3-[[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]amino]pyrazine-2-carbonitrile
CID 71980270
N-cyclopentyl-2-methyl-6-piperidin-1-ylpyrimidin-4-amine
CID 112868596
1-[1-(6-chloro-5-cyanopyrazin-2-yl)piperidin-3-yl]-3-methylurea
CID 144857934
N-cyclohexyl-6-piperidin-1-ylpyridin-3-amine
CID 43690330
3-chloro-5-(4-methylpiperazin-1-yl)pyrazine-2-carbonitrile;3,5-dichloropyrazine-2-carbonitrile;1-methylpiperidine
CID 167668333
4-(cyclohexylamino)-6-piperidin-1-yl-1,3,5-triazine-2-carbonitrile
CID 11173697
3-[(4-propan-2-ylcycloheptyl)amino]pyrazine-2-carbonitrile
CID 133479818

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylamino)-5-piperidin-1-ylpyrazine-2-carbonitrile?
The IUPAC name of 3-(cyclopropylamino)-5-piperidin-1-ylpyrazine-2-carbonitrile (CID 144858009) is 3-(cyclopropylamino)-5-piperidin-1-ylpyrazine-2-carbonitrile.
What is the SMILES notation for 3-(cyclopropylamino)-5-piperidin-1-ylpyrazine-2-carbonitrile?
The canonical SMILES for 3-(cyclopropylamino)-5-piperidin-1-ylpyrazine-2-carbonitrile is N#Cc1ncc(N2CCCCC2)nc1NC1CC1.
What is the InChIKey of 3-(cyclopropylamino)-5-piperidin-1-ylpyrazine-2-carbonitrile?
The InChIKey is SYHPTFACIRMFBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5/c14-8-11-13(16-10-4-5-10)17-12(9-15-11)18-6-2-1-3-7-18/h9-10H,1-7H2,(H,16,17).
What are the key properties of 3-(cyclopropylamino)-5-piperidin-1-ylpyrazine-2-carbonitrile?
3-(cyclopropylamino)-5-piperidin-1-ylpyrazine-2-carbonitrile has a molecular weight of 243.31 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylamino)-5-piperidin-1-ylpyrazine-2-carbonitrile is sourced from PubChem (CID 144858009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).