1-methyl-3-[[4-(1-propylpyrazole-4-carbonyl)morpholin-2-yl]methylamino]pyrazin-2-one

C17H24N6O3 — CID 129002643

IUPAC1-methyl-3-[[4-(1-propylpyrazole-4-carbonyl)morpholin-2-yl]methylamino]pyrazin-2-one
SMILESCCCn1cc(C(=O)N2CCOC(CNc3nccn(C)c3=O)C2)cn1
InChIInChI=1S/C17H24N6O3/c1-3-5-23-11-13(9-20-23)16(24)22-7-8-26-14(12-22)10-19-15-17(25)21(2)6-4-18-15/h4,6,9,11,14H,3,5,7-8,10,12H2,1-2H3,(H,18,19)
InChIKeyRENAMRXYOPQYHU-UHFFFAOYSA-N
MW360.42 g/mol
LogP0.34
Rot. Bonds6

About 1-methyl-3-[[4-(1-propylpyrazole-4-carbonyl)morpholin-2-yl]methylamino]pyrazin-2-one

1-methyl-3-[[4-(1-propylpyrazole-4-carbonyl)morpholin-2-yl]methylamino]pyrazin-2-one (PubChem CID 129002643) has the molecular formula C17H24N6O3 and a molecular weight of 360.42 g/mol. Its IUPAC name is 1-methyl-3-[[4-(1-propylpyrazole-4-carbonyl)morpholin-2-yl]methylamino]pyrazin-2-one.

Molecular Properties

Compound Name1-methyl-3-[[4-(1-propylpyrazole-4-carbonyl)morpholin-2-yl]methylamino]pyrazin-2-one
PubChem CID129002643
Molecular FormulaC17H24N6O3
Molecular Weight360.42 g/mol
Exact Mass360.19
IUPAC Name1-methyl-3-[[4-(1-propylpyrazole-4-carbonyl)morpholin-2-yl]methylamino]pyrazin-2-one
SMILESCCCn1cc(C(=O)N2CCOC(CNc3nccn(C)c3=O)C2)cn1
InChIInChI=1S/C17H24N6O3/c1-3-5-23-11-13(9-20-23)16(24)22-7-8-26-14(12-22)10-19-15-17(25)21(2)6-4-18-15/h4,6,9,11,14H,3,5,7-8,10,12H2,1-2H3,(H,18,19)
InChIKeyRENAMRXYOPQYHU-UHFFFAOYSA-N
XLogP0.34
TPSA94.28 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

1-methyl-3-[[(2S)-4-(2-methyl-6-oxo-1H-pyridine-4-carbonyl)morpholin-2-yl]methylamino]pyrazin-2-one
CID 129338615
2-[[(4-methyl-3-oxopyrazin-2-yl)amino]methyl]-N-(oxolan-2-ylmethyl)morpholine-4-carboxamide
CID 129000674
1-methyl-3-[[(2S)-4-(4-methyl-1,3-thiazole-5-carbonyl)morpholin-2-yl]methylamino]pyrazin-2-one
CID 129344172
3-[[4-(3,4-dihydro-2H-pyran-5-carbonyl)morpholin-2-yl]methylamino]-1-methylpyrazin-2-one
CID 129000438
3-[[(2S)-4-(2,3-difluorobenzoyl)morpholin-2-yl]methylamino]-1-methylpyrazin-2-one
CID 129340708
1-methyl-3-[[(2R)-4-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)morpholin-2-yl]methylamino]pyrazin-2-one
CID 129341885
3-[[(2R)-4-(4-chloro-1H-pyrrole-2-carbonyl)morpholin-2-yl]methylamino]-1-methylpyrazin-2-one
CID 129344097
3-[[(2R)-4-[(2S)-2-hydroxy-2-phenylacetyl]morpholin-2-yl]methylamino]-1-methylpyrazin-2-one
CID 129341750
3-[[(2S)-4-[(2R)-2-hydroxy-2-phenylacetyl]morpholin-2-yl]methylamino]-1-methylpyrazin-2-one
CID 129341753
1-methyl-3-[[4-(2-pyridin-3-ylpropanoyl)morpholin-2-yl]methylamino]pyrazin-2-one
CID 128968480
1-methyl-3-[[(2R)-4-[3-(5-methylfuran-2-yl)propanoyl]morpholin-2-yl]methylamino]pyrazin-2-one
CID 129339038
1-methyl-3-[[(2S)-4-[(2-propyl-1,2,4-triazol-3-yl)methyl]morpholin-2-yl]methylamino]pyrazin-2-one
CID 164636361

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[[4-(1-propylpyrazole-4-carbonyl)morpholin-2-yl]methylamino]pyrazin-2-one?
The IUPAC name of 1-methyl-3-[[4-(1-propylpyrazole-4-carbonyl)morpholin-2-yl]methylamino]pyrazin-2-one (CID 129002643) is 1-methyl-3-[[4-(1-propylpyrazole-4-carbonyl)morpholin-2-yl]methylamino]pyrazin-2-one.
What is the SMILES notation for 1-methyl-3-[[4-(1-propylpyrazole-4-carbonyl)morpholin-2-yl]methylamino]pyrazin-2-one?
The canonical SMILES for 1-methyl-3-[[4-(1-propylpyrazole-4-carbonyl)morpholin-2-yl]methylamino]pyrazin-2-one is CCCn1cc(C(=O)N2CCOC(CNc3nccn(C)c3=O)C2)cn1.
What is the InChIKey of 1-methyl-3-[[4-(1-propylpyrazole-4-carbonyl)morpholin-2-yl]methylamino]pyrazin-2-one?
The InChIKey is RENAMRXYOPQYHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O3/c1-3-5-23-11-13(9-20-23)16(24)22-7-8-26-14(12-22)10-19-15-17(25)21(2)6-4-18-15/h4,6,9,11,14H,3,5,7-8,10,12H2,1-2H3,(H,18,19).
What are the key properties of 1-methyl-3-[[4-(1-propylpyrazole-4-carbonyl)morpholin-2-yl]methylamino]pyrazin-2-one?
1-methyl-3-[[4-(1-propylpyrazole-4-carbonyl)morpholin-2-yl]methylamino]pyrazin-2-one has a molecular weight of 360.42 g/mol, XLogP of 0.34, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[[4-(1-propylpyrazole-4-carbonyl)morpholin-2-yl]methylamino]pyrazin-2-one is sourced from PubChem (CID 129002643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).