(3-aminopyrazin-2-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone

C14H16N6O — CID 120732345

IUPAC(3-aminopyrazin-2-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
SMILESNc1nccnc1C(=O)N1CCNCC1c1cccnc1
InChIInChI=1S/C14H16N6O/c15-13-12(18-4-5-19-13)14(21)20-7-6-17-9-11(20)10-2-1-3-16-8-10/h1-5,8,11,17H,6-7,9H2,(H2,15,19)
InChIKeyJRLCROUGOIIELP-UHFFFAOYSA-N
MW284.32 g/mol
LogP0.24
Rot. Bonds2

About (3-aminopyrazin-2-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone

(3-aminopyrazin-2-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone (PubChem CID 120732345) has the molecular formula C14H16N6O and a molecular weight of 284.32 g/mol. Its IUPAC name is (3-aminopyrazin-2-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(3-aminopyrazin-2-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
PubChem CID120732345
Molecular FormulaC14H16N6O
Molecular Weight284.32 g/mol
Exact Mass284.14
IUPAC Name(3-aminopyrazin-2-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
SMILESNc1nccnc1C(=O)N1CCNCC1c1cccnc1
InChIInChI=1S/C14H16N6O/c15-13-12(18-4-5-19-13)14(21)20-7-6-17-9-11(20)10-2-1-3-16-8-10/h1-5,8,11,17H,6-7,9H2,(H2,15,19)
InChIKeyJRLCROUGOIIELP-UHFFFAOYSA-N
XLogP0.24
TPSA97.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(3-aminopyrazin-2-yl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone;dihydrochloride
CID 120737871
(5-chloropyrimidin-4-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride
CID 120729438
(2-pyridin-3-ylpiperazin-1-yl)-thiophen-2-ylmethanone;hydrochloride
CID 120729292
(1,5-dimethyltriazol-4-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120732429
(5-methylpyrazin-2-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;dihydrochloride
CID 120728916
(2-pyridin-3-ylpiperazin-1-yl)-(1H-pyrrol-2-yl)methanone;hydrochloride
CID 120730091
(3-chloro-4-pyridinyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120730350
(5-cyclopropyl-2-pyridinyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120731790
(2-methyl-1,3-thiazol-5-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120729984
(4-bromothiophen-2-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120731046
(5-chloro-2-propan-2-ylpyrimidin-4-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120731955
(1-methylpyrrol-2-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120731694

Frequently Asked Questions

What is the IUPAC name of (3-aminopyrazin-2-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone?
The IUPAC name of (3-aminopyrazin-2-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone (CID 120732345) is (3-aminopyrazin-2-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (3-aminopyrazin-2-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone?
The canonical SMILES for (3-aminopyrazin-2-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone is Nc1nccnc1C(=O)N1CCNCC1c1cccnc1.
What is the InChIKey of (3-aminopyrazin-2-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone?
The InChIKey is JRLCROUGOIIELP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6O/c15-13-12(18-4-5-19-13)14(21)20-7-6-17-9-11(20)10-2-1-3-16-8-10/h1-5,8,11,17H,6-7,9H2,(H2,15,19).
What are the key properties of (3-aminopyrazin-2-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone?
(3-aminopyrazin-2-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone has a molecular weight of 284.32 g/mol, XLogP of 0.24, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminopyrazin-2-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 120732345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).