1-cyclopropyl-3-[(3-hydroxycyclohexyl)methylamino]pyrazin-2-one

C14H21N3O2 — CID 103931018

IUPAC1-cyclopropyl-3-[(3-hydroxycyclohexyl)methylamino]pyrazin-2-one
SMILESO=c1c(NCC2CCCC(O)C2)nccn1C1CC1
InChIInChI=1S/C14H21N3O2/c18-12-3-1-2-10(8-12)9-16-13-14(19)17(7-6-15-13)11-4-5-11/h6-7,10-12,18H,1-5,8-9H2,(H,15,16)
InChIKeyQMMWKLOZDLKQEU-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.54
Rot. Bonds4

About 1-cyclopropyl-3-[(3-hydroxycyclohexyl)methylamino]pyrazin-2-one

1-cyclopropyl-3-[(3-hydroxycyclohexyl)methylamino]pyrazin-2-one (PubChem CID 103931018) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 1-cyclopropyl-3-[(3-hydroxycyclohexyl)methylamino]pyrazin-2-one.

Molecular Properties

Compound Name1-cyclopropyl-3-[(3-hydroxycyclohexyl)methylamino]pyrazin-2-one
PubChem CID103931018
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name1-cyclopropyl-3-[(3-hydroxycyclohexyl)methylamino]pyrazin-2-one
SMILESO=c1c(NCC2CCCC(O)C2)nccn1C1CC1
InChIInChI=1S/C14H21N3O2/c18-12-3-1-2-10(8-12)9-16-13-14(19)17(7-6-15-13)11-4-5-11/h6-7,10-12,18H,1-5,8-9H2,(H,15,16)
InChIKeyQMMWKLOZDLKQEU-UHFFFAOYSA-N
XLogP1.54
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-ethyl-3-[(3-hydroxycyclohexyl)methylamino]pyrazin-2-one
CID 113349523
3-[(3-hydroxycyclohexyl)methylamino]-1-propylpyrazin-2-one
CID 106129389
1-tert-butyl-3-[(3-hydroxycyclopentyl)methylamino]pyrazin-2-one
CID 106127875
3-[(pyrazolo[1,5-a]pyrazin-4-ylamino)methyl]cyclohexan-1-ol
CID 106129764
3-(cyclobutylamino)-1-cyclopropylpyrazin-2-one
CID 62927759
1-cyclopropyl-3-[(1-hydroxycyclopentyl)methylamino]pyrazin-2-one
CID 65110313
1-cyclopropyl-3-(propylamino)pyrazin-2-one
CID 62938241
1-cyclopropyl-3-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]pyrazin-2-one
CID 112561891
1-cyclopropyl-3-[(1-hydroxycyclohexyl)methylamino]pyrazin-2-one
CID 65110579
1-cyclopropyl-3-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methylamino]pyrazin-2-one
CID 126917195
3-(4-chlorobutylamino)-1-cyclopropylpyrazin-2-one
CID 106845044
1-cyclopropyl-3-(2,2,3,3-tetrafluoropropylamino)pyrazin-2-one
CID 114169567

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[(3-hydroxycyclohexyl)methylamino]pyrazin-2-one?
The IUPAC name of 1-cyclopropyl-3-[(3-hydroxycyclohexyl)methylamino]pyrazin-2-one (CID 103931018) is 1-cyclopropyl-3-[(3-hydroxycyclohexyl)methylamino]pyrazin-2-one.
What is the SMILES notation for 1-cyclopropyl-3-[(3-hydroxycyclohexyl)methylamino]pyrazin-2-one?
The canonical SMILES for 1-cyclopropyl-3-[(3-hydroxycyclohexyl)methylamino]pyrazin-2-one is O=c1c(NCC2CCCC(O)C2)nccn1C1CC1.
What is the InChIKey of 1-cyclopropyl-3-[(3-hydroxycyclohexyl)methylamino]pyrazin-2-one?
The InChIKey is QMMWKLOZDLKQEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c18-12-3-1-2-10(8-12)9-16-13-14(19)17(7-6-15-13)11-4-5-11/h6-7,10-12,18H,1-5,8-9H2,(H,15,16).
What are the key properties of 1-cyclopropyl-3-[(3-hydroxycyclohexyl)methylamino]pyrazin-2-one?
1-cyclopropyl-3-[(3-hydroxycyclohexyl)methylamino]pyrazin-2-one has a molecular weight of 263.34 g/mol, XLogP of 1.54, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[(3-hydroxycyclohexyl)methylamino]pyrazin-2-one is sourced from PubChem (CID 103931018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).