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

C14H21N3O2 — CID 65110579

IUPAC1-cyclopropyl-3-[(1-hydroxycyclohexyl)methylamino]pyrazin-2-one
SMILESO=c1c(NCC2(O)CCCCC2)nccn1C1CC1
InChIInChI=1S/C14H21N3O2/c18-13-12(15-8-9-17(13)11-4-5-11)16-10-14(19)6-2-1-3-7-14/h8-9,11,19H,1-7,10H2,(H,15,16)
InChIKeyAFSZHPBGGGKWET-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.69
Rot. Bonds4

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

1-cyclopropyl-3-[(1-hydroxycyclohexyl)methylamino]pyrazin-2-one (PubChem CID 65110579) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 1-cyclopropyl-3-[(1-hydroxycyclohexyl)methylamino]pyrazin-2-one.

Molecular Properties

Compound Name1-cyclopropyl-3-[(1-hydroxycyclohexyl)methylamino]pyrazin-2-one
PubChem CID65110579
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name1-cyclopropyl-3-[(1-hydroxycyclohexyl)methylamino]pyrazin-2-one
SMILESO=c1c(NCC2(O)CCCCC2)nccn1C1CC1
InChIInChI=1S/C14H21N3O2/c18-13-12(15-8-9-17(13)11-4-5-11)16-10-14(19)6-2-1-3-7-14/h8-9,11,19H,1-7,10H2,(H,15,16)
InChIKeyAFSZHPBGGGKWET-UHFFFAOYSA-N
XLogP1.69
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 ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[(1-hydroxycyclohexyl)methylamino]pyrazin-2-one?
The IUPAC name of 1-cyclopropyl-3-[(1-hydroxycyclohexyl)methylamino]pyrazin-2-one (CID 65110579) is 1-cyclopropyl-3-[(1-hydroxycyclohexyl)methylamino]pyrazin-2-one.
What is the SMILES notation for 1-cyclopropyl-3-[(1-hydroxycyclohexyl)methylamino]pyrazin-2-one?
The canonical SMILES for 1-cyclopropyl-3-[(1-hydroxycyclohexyl)methylamino]pyrazin-2-one is O=c1c(NCC2(O)CCCCC2)nccn1C1CC1.
What is the InChIKey of 1-cyclopropyl-3-[(1-hydroxycyclohexyl)methylamino]pyrazin-2-one?
The InChIKey is AFSZHPBGGGKWET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c18-13-12(15-8-9-17(13)11-4-5-11)16-10-14(19)6-2-1-3-7-14/h8-9,11,19H,1-7,10H2,(H,15,16).
What are the key properties of 1-cyclopropyl-3-[(1-hydroxycyclohexyl)methylamino]pyrazin-2-one?
1-cyclopropyl-3-[(1-hydroxycyclohexyl)methylamino]pyrazin-2-one has a molecular weight of 263.34 g/mol, XLogP of 1.69, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[(1-hydroxycyclohexyl)methylamino]pyrazin-2-one is sourced from PubChem (CID 65110579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).