5-[2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]pyrazine-2-carbonitrile

C12H13N7 — CID 167901533

IUPAC5-[2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]pyrazine-2-carbonitrile
SMILESN#Cc1cnc(N2CCCCC2c2ncn[nH]2)cn1
InChIInChI=1S/C12H13N7/c13-5-9-6-15-11(7-14-9)19-4-2-1-3-10(19)12-16-8-17-18-12/h6-8,10H,1-4H2,(H,16,17,18)
InChIKeyAPSXWWUMPPERBZ-UHFFFAOYSA-N
MW255.28 g/mol
LogP1.20
Rot. Bonds2

About 5-[2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]pyrazine-2-carbonitrile

5-[2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]pyrazine-2-carbonitrile (PubChem CID 167901533) has the molecular formula C12H13N7 and a molecular weight of 255.28 g/mol. Its IUPAC name is 5-[2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name5-[2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]pyrazine-2-carbonitrile
PubChem CID167901533
Molecular FormulaC12H13N7
Molecular Weight255.28 g/mol
Exact Mass255.12
IUPAC Name5-[2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]pyrazine-2-carbonitrile
SMILESN#Cc1cnc(N2CCCCC2c2ncn[nH]2)cn1
InChIInChI=1S/C12H13N7/c13-5-9-6-15-11(7-14-9)19-4-2-1-3-10(19)12-16-8-17-18-12/h6-8,10H,1-4H2,(H,16,17,18)
InChIKeyAPSXWWUMPPERBZ-UHFFFAOYSA-N
XLogP1.20
TPSA94.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(2R)-2-[(1S,2S)-2-hydroxycyclohexyl]pyrrolidin-1-yl]pyrazine-2-carbonitrile
CID 129491902
5-[2-(2-cyclopentylethyl)pyrrolidin-1-yl]pyrazine-2-carbonitrile
CID 127909683
5-[(2S)-2-(4-bromo-3-fluorophenyl)pyrrolidin-1-yl]pyrazine-2-carbonitrile
CID 125141234
5-[(2S)-2-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]pyrazine-2-carbonitrile
CID 99802734
3-(1,1,2,2,2-pentafluoroethyl)-6-[(2S)-2-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]pyridazine
CID 166291713
2-(1H-1,2,4-triazol-5-yl)-1-(2,2,2-trifluoroethyl)piperidine
CID 84599253
4-methoxy-3-[[(2S)-2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]benzonitrile
CID 129398413
4-methoxy-2-[2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]pyrimidine
CID 167992138
5-(3-methyl-2-propylpiperidin-1-yl)pyrazine-2-carbonitrile
CID 133485562
(2,2,3,3-tetramethylcyclopropyl)-[2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone
CID 128991556
5-[2-(oxolan-2-yl)morpholin-4-yl]pyrazine-2-carbonitrile
CID 133491078
N,N-dimethyl-4-propan-2-yl-6-[(2S)-2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]-1,3,5-triazin-2-amine
CID 97261572

Frequently Asked Questions

What is the IUPAC name of 5-[2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]pyrazine-2-carbonitrile?
The IUPAC name of 5-[2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]pyrazine-2-carbonitrile (CID 167901533) is 5-[2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]pyrazine-2-carbonitrile.
What is the SMILES notation for 5-[2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]pyrazine-2-carbonitrile?
The canonical SMILES for 5-[2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]pyrazine-2-carbonitrile is N#Cc1cnc(N2CCCCC2c2ncn[nH]2)cn1.
What is the InChIKey of 5-[2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]pyrazine-2-carbonitrile?
The InChIKey is APSXWWUMPPERBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N7/c13-5-9-6-15-11(7-14-9)19-4-2-1-3-10(19)12-16-8-17-18-12/h6-8,10H,1-4H2,(H,16,17,18).
What are the key properties of 5-[2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]pyrazine-2-carbonitrile?
5-[2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]pyrazine-2-carbonitrile has a molecular weight of 255.28 g/mol, XLogP of 1.20, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]pyrazine-2-carbonitrile is sourced from PubChem (CID 167901533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).