3-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]-1-propan-2-ylpyrazin-2-one

C15H25N3O2 — CID 62928116

IUPAC3-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]-1-propan-2-ylpyrazin-2-one
SMILESCC1CCC(CO)(Nc2nccn(C(C)C)c2=O)CC1
InChIInChI=1S/C15H25N3O2/c1-11(2)18-9-8-16-13(14(18)20)17-15(10-19)6-4-12(3)5-7-15/h8-9,11-12,19H,4-7,10H2,1-3H3,(H,16,17)
InChIKeyPKCZNBWJAXCVDQ-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.18
Rot. Bonds4

About 3-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]-1-propan-2-ylpyrazin-2-one

3-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]-1-propan-2-ylpyrazin-2-one (PubChem CID 62928116) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 3-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]-1-propan-2-ylpyrazin-2-one.

Molecular Properties

Compound Name3-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]-1-propan-2-ylpyrazin-2-one
PubChem CID62928116
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name3-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]-1-propan-2-ylpyrazin-2-one
SMILESCC1CCC(CO)(Nc2nccn(C(C)C)c2=O)CC1
InChIInChI=1S/C15H25N3O2/c1-11(2)18-9-8-16-13(14(18)20)17-15(10-19)6-4-12(3)5-7-15/h8-9,11-12,19H,4-7,10H2,1-3H3,(H,16,17)
InChIKeyPKCZNBWJAXCVDQ-UHFFFAOYSA-N
XLogP2.18
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]-1-propan-2-ylpyrazin-2-one?
The IUPAC name of 3-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]-1-propan-2-ylpyrazin-2-one (CID 62928116) is 3-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]-1-propan-2-ylpyrazin-2-one.
What is the SMILES notation for 3-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]-1-propan-2-ylpyrazin-2-one?
The canonical SMILES for 3-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]-1-propan-2-ylpyrazin-2-one is CC1CCC(CO)(Nc2nccn(C(C)C)c2=O)CC1.
What is the InChIKey of 3-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]-1-propan-2-ylpyrazin-2-one?
The InChIKey is PKCZNBWJAXCVDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-11(2)18-9-8-16-13(14(18)20)17-15(10-19)6-4-12(3)5-7-15/h8-9,11-12,19H,4-7,10H2,1-3H3,(H,16,17).
What are the key properties of 3-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]-1-propan-2-ylpyrazin-2-one?
3-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]-1-propan-2-ylpyrazin-2-one has a molecular weight of 279.38 g/mol, XLogP of 2.18, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]-1-propan-2-ylpyrazin-2-one is sourced from PubChem (CID 62928116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).