1-methyl-3-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]pyrazin-2-one

C16H18N8O — CID 154829998

IUPAC1-methyl-3-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]pyrazin-2-one
SMILESCn1ccnc(N2CCN(c3cc(-n4cccn4)ncn3)CC2)c1=O
InChIInChI=1S/C16H18N8O/c1-21-6-4-17-15(16(21)25)23-9-7-22(8-10-23)13-11-14(19-12-18-13)24-5-2-3-20-24/h2-6,11-12H,7-10H2,1H3
InChIKeySXLVAAKPBCRURR-UHFFFAOYSA-N
MW338.38 g/mol
LogP0.08
Rot. Bonds3

About 1-methyl-3-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]pyrazin-2-one

1-methyl-3-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]pyrazin-2-one (PubChem CID 154829998) has the molecular formula C16H18N8O and a molecular weight of 338.38 g/mol. Its IUPAC name is 1-methyl-3-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]pyrazin-2-one.

Molecular Properties

Compound Name1-methyl-3-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]pyrazin-2-one
PubChem CID154829998
Molecular FormulaC16H18N8O
Molecular Weight338.38 g/mol
Exact Mass338.16
IUPAC Name1-methyl-3-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]pyrazin-2-one
SMILESCn1ccnc(N2CCN(c3cc(-n4cccn4)ncn3)CC2)c1=O
InChIInChI=1S/C16H18N8O/c1-21-6-4-17-15(16(21)25)23-9-7-22(8-10-23)13-11-14(19-12-18-13)24-5-2-3-20-24/h2-6,11-12H,7-10H2,1H3
InChIKeySXLVAAKPBCRURR-UHFFFAOYSA-N
XLogP0.08
TPSA84.97 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.38
LogP ≤ 50.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]pyrazin-2-one?
The IUPAC name of 1-methyl-3-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]pyrazin-2-one (CID 154829998) is 1-methyl-3-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]pyrazin-2-one.
What is the SMILES notation for 1-methyl-3-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]pyrazin-2-one?
The canonical SMILES for 1-methyl-3-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]pyrazin-2-one is Cn1ccnc(N2CCN(c3cc(-n4cccn4)ncn3)CC2)c1=O.
What is the InChIKey of 1-methyl-3-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]pyrazin-2-one?
The InChIKey is SXLVAAKPBCRURR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N8O/c1-21-6-4-17-15(16(21)25)23-9-7-22(8-10-23)13-11-14(19-12-18-13)24-5-2-3-20-24/h2-6,11-12H,7-10H2,1H3.
What are the key properties of 1-methyl-3-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]pyrazin-2-one?
1-methyl-3-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]pyrazin-2-one has a molecular weight of 338.38 g/mol, XLogP of 0.08, 3 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]pyrazin-2-one is sourced from PubChem (CID 154829998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).