6-cyclopropyl-3-[[1-[6-(1,2,4-triazol-1-yl)pyrazin-2-yl]piperidin-4-yl]methyl]pyrimidin-4-one

C19H22N8O — CID 126941906

IUPAC6-cyclopropyl-3-[[1-[6-(1,2,4-triazol-1-yl)pyrazin-2-yl]piperidin-4-yl]methyl]pyrimidin-4-one
SMILESO=c1cc(C2CC2)ncn1CC1CCN(c2cncc(-n3cncn3)n2)CC1
InChIInChI=1S/C19H22N8O/c28-19-7-16(15-1-2-15)22-13-26(19)10-14-3-5-25(6-4-14)17-8-20-9-18(24-17)27-12-21-11-23-27/h7-9,11-15H,1-6,10H2
InChIKeyUHXHMZGVBYIWRF-UHFFFAOYSA-N
MW378.44 g/mol
LogP1.41
Rot. Bonds5

About 6-cyclopropyl-3-[[1-[6-(1,2,4-triazol-1-yl)pyrazin-2-yl]piperidin-4-yl]methyl]pyrimidin-4-one

6-cyclopropyl-3-[[1-[6-(1,2,4-triazol-1-yl)pyrazin-2-yl]piperidin-4-yl]methyl]pyrimidin-4-one (PubChem CID 126941906) has the molecular formula C19H22N8O and a molecular weight of 378.44 g/mol. Its IUPAC name is 6-cyclopropyl-3-[[1-[6-(1,2,4-triazol-1-yl)pyrazin-2-yl]piperidin-4-yl]methyl]pyrimidin-4-one.

Molecular Properties

Compound Name6-cyclopropyl-3-[[1-[6-(1,2,4-triazol-1-yl)pyrazin-2-yl]piperidin-4-yl]methyl]pyrimidin-4-one
PubChem CID126941906
Molecular FormulaC19H22N8O
Molecular Weight378.44 g/mol
Exact Mass378.19
IUPAC Name6-cyclopropyl-3-[[1-[6-(1,2,4-triazol-1-yl)pyrazin-2-yl]piperidin-4-yl]methyl]pyrimidin-4-one
SMILESO=c1cc(C2CC2)ncn1CC1CCN(c2cncc(-n3cncn3)n2)CC1
InChIInChI=1S/C19H22N8O/c28-19-7-16(15-1-2-15)22-13-26(19)10-14-3-5-25(6-4-14)17-8-20-9-18(24-17)27-12-21-11-23-27/h7-9,11-15H,1-6,10H2
InChIKeyUHXHMZGVBYIWRF-UHFFFAOYSA-N
XLogP1.41
TPSA94.62 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.44
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 6-cyclopropyl-3-[[1-[6-(1,2,4-triazol-1-yl)pyrazin-2-yl]piperidin-4-yl]methyl]pyrimidin-4-one with MolForge

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Related Compounds

6-cyclopropyl-3-[[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 126941642
6-cyclopropyl-3-[[1-(1,3-thiazol-2-yl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 126941646
6-[4-[(4-cyclopropyl-6-oxopyrimidin-1-yl)methyl]piperidin-1-yl]-1,5-dimethylpyrazolo[5,4-d]pyrimidin-4-one
CID 126941950
3-[[1-(6-methylpyrazin-2-yl)piperidin-4-yl]methyl]-6-(trifluoromethyl)pyrimidin-4-one
CID 126943532
6-cyclopropyl-3-[(1-pyrido[2,3-d]pyrimidin-4-ylpiperidin-4-yl)methyl]pyrimidin-4-one
CID 126941964
6-cyclopropyl-3-[[1-(1H-imidazol-5-ylsulfonyl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 126941621
N-cycloheptyl-4-[(4-cyclopropyl-6-oxopyrimidin-1-yl)methyl]piperidine-1-carboxamide
CID 126941551
6-cyclopropyl-3-[[1-[2-(3-methylimidazol-4-yl)ethyl]piperidin-4-yl]methyl]pyrimidin-4-one
CID 126941809
6-cyclopropyl-3-[[1-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]piperidin-4-yl]methyl]pyrimidin-4-one
CID 126941896
6-cyclopropyl-3-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 126941650
6-cyclopropyl-3-[[1-(4-methylphthalazin-1-yl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 126941716
6-cyclopropyl-3-[[1-[2-(2-oxo-1-pyridinyl)ethyl]piperidin-4-yl]methyl]pyrimidin-4-one
CID 126941774

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-3-[[1-[6-(1,2,4-triazol-1-yl)pyrazin-2-yl]piperidin-4-yl]methyl]pyrimidin-4-one?
The IUPAC name of 6-cyclopropyl-3-[[1-[6-(1,2,4-triazol-1-yl)pyrazin-2-yl]piperidin-4-yl]methyl]pyrimidin-4-one (CID 126941906) is 6-cyclopropyl-3-[[1-[6-(1,2,4-triazol-1-yl)pyrazin-2-yl]piperidin-4-yl]methyl]pyrimidin-4-one.
What is the SMILES notation for 6-cyclopropyl-3-[[1-[6-(1,2,4-triazol-1-yl)pyrazin-2-yl]piperidin-4-yl]methyl]pyrimidin-4-one?
The canonical SMILES for 6-cyclopropyl-3-[[1-[6-(1,2,4-triazol-1-yl)pyrazin-2-yl]piperidin-4-yl]methyl]pyrimidin-4-one is O=c1cc(C2CC2)ncn1CC1CCN(c2cncc(-n3cncn3)n2)CC1.
What is the InChIKey of 6-cyclopropyl-3-[[1-[6-(1,2,4-triazol-1-yl)pyrazin-2-yl]piperidin-4-yl]methyl]pyrimidin-4-one?
The InChIKey is UHXHMZGVBYIWRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N8O/c28-19-7-16(15-1-2-15)22-13-26(19)10-14-3-5-25(6-4-14)17-8-20-9-18(24-17)27-12-21-11-23-27/h7-9,11-15H,1-6,10H2.
What are the key properties of 6-cyclopropyl-3-[[1-[6-(1,2,4-triazol-1-yl)pyrazin-2-yl]piperidin-4-yl]methyl]pyrimidin-4-one?
6-cyclopropyl-3-[[1-[6-(1,2,4-triazol-1-yl)pyrazin-2-yl]piperidin-4-yl]methyl]pyrimidin-4-one has a molecular weight of 378.44 g/mol, XLogP of 1.41, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-3-[[1-[6-(1,2,4-triazol-1-yl)pyrazin-2-yl]piperidin-4-yl]methyl]pyrimidin-4-one is sourced from PubChem (CID 126941906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).