3-[[1-(hydroxymethyl)cyclohexyl]amino]-1-propylpyrazin-2-one

C14H23N3O2 — CID 62927938

IUPAC3-[[1-(hydroxymethyl)cyclohexyl]amino]-1-propylpyrazin-2-one
SMILESCCCn1ccnc(NC2(CO)CCCCC2)c1=O
InChIInChI=1S/C14H23N3O2/c1-2-9-17-10-8-15-12(13(17)19)16-14(11-18)6-4-3-5-7-14/h8,10,18H,2-7,9,11H2,1H3,(H,15,16)
InChIKeyKDDXLXGQVSNHHJ-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.76
Rot. Bonds5

About 3-[[1-(hydroxymethyl)cyclohexyl]amino]-1-propylpyrazin-2-one

3-[[1-(hydroxymethyl)cyclohexyl]amino]-1-propylpyrazin-2-one (PubChem CID 62927938) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 3-[[1-(hydroxymethyl)cyclohexyl]amino]-1-propylpyrazin-2-one.

Molecular Properties

Compound Name3-[[1-(hydroxymethyl)cyclohexyl]amino]-1-propylpyrazin-2-one
PubChem CID62927938
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name3-[[1-(hydroxymethyl)cyclohexyl]amino]-1-propylpyrazin-2-one
SMILESCCCn1ccnc(NC2(CO)CCCCC2)c1=O
InChIInChI=1S/C14H23N3O2/c1-2-9-17-10-8-15-12(13(17)19)16-14(11-18)6-4-3-5-7-14/h8,10,18H,2-7,9,11H2,1H3,(H,15,16)
InChIKeyKDDXLXGQVSNHHJ-UHFFFAOYSA-N
XLogP1.76
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[[1-(hydroxymethyl)cyclohexyl]amino]-1-propylpyrazin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(hydroxymethyl)cyclohexyl]amino]-1-propylpyrazin-2-one?
The IUPAC name of 3-[[1-(hydroxymethyl)cyclohexyl]amino]-1-propylpyrazin-2-one (CID 62927938) is 3-[[1-(hydroxymethyl)cyclohexyl]amino]-1-propylpyrazin-2-one.
What is the SMILES notation for 3-[[1-(hydroxymethyl)cyclohexyl]amino]-1-propylpyrazin-2-one?
The canonical SMILES for 3-[[1-(hydroxymethyl)cyclohexyl]amino]-1-propylpyrazin-2-one is CCCn1ccnc(NC2(CO)CCCCC2)c1=O.
What is the InChIKey of 3-[[1-(hydroxymethyl)cyclohexyl]amino]-1-propylpyrazin-2-one?
The InChIKey is KDDXLXGQVSNHHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-2-9-17-10-8-15-12(13(17)19)16-14(11-18)6-4-3-5-7-14/h8,10,18H,2-7,9,11H2,1H3,(H,15,16).
What are the key properties of 3-[[1-(hydroxymethyl)cyclohexyl]amino]-1-propylpyrazin-2-one?
3-[[1-(hydroxymethyl)cyclohexyl]amino]-1-propylpyrazin-2-one has a molecular weight of 265.36 g/mol, XLogP of 1.76, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(hydroxymethyl)cyclohexyl]amino]-1-propylpyrazin-2-one is sourced from PubChem (CID 62927938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).