3-[[1-(aminomethyl)-4-methylcyclohexyl]amino]-1-methylpyrazin-2-one

C13H22N4O — CID 55242191

IUPAC3-[[1-(aminomethyl)-4-methylcyclohexyl]amino]-1-methylpyrazin-2-one
SMILESCC1CCC(CN)(Nc2nccn(C)c2=O)CC1
InChIInChI=1S/C13H22N4O/c1-10-3-5-13(9-14,6-4-10)16-11-12(18)17(2)8-7-15-11/h7-8,10H,3-6,9,14H2,1-2H3,(H,15,16)
InChIKeyDERSYEQVTZZNFQ-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.10
Rot. Bonds3

About 3-[[1-(aminomethyl)-4-methylcyclohexyl]amino]-1-methylpyrazin-2-one

3-[[1-(aminomethyl)-4-methylcyclohexyl]amino]-1-methylpyrazin-2-one (PubChem CID 55242191) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 3-[[1-(aminomethyl)-4-methylcyclohexyl]amino]-1-methylpyrazin-2-one.

Molecular Properties

Compound Name3-[[1-(aminomethyl)-4-methylcyclohexyl]amino]-1-methylpyrazin-2-one
PubChem CID55242191
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name3-[[1-(aminomethyl)-4-methylcyclohexyl]amino]-1-methylpyrazin-2-one
SMILESCC1CCC(CN)(Nc2nccn(C)c2=O)CC1
InChIInChI=1S/C13H22N4O/c1-10-3-5-13(9-14,6-4-10)16-11-12(18)17(2)8-7-15-11/h7-8,10H,3-6,9,14H2,1-2H3,(H,15,16)
InChIKeyDERSYEQVTZZNFQ-UHFFFAOYSA-N
XLogP1.10
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[1-(aminomethyl)-4-methylcyclohexyl]amino]-1-methylpyrazin-2-one?
The IUPAC name of 3-[[1-(aminomethyl)-4-methylcyclohexyl]amino]-1-methylpyrazin-2-one (CID 55242191) is 3-[[1-(aminomethyl)-4-methylcyclohexyl]amino]-1-methylpyrazin-2-one.
What is the SMILES notation for 3-[[1-(aminomethyl)-4-methylcyclohexyl]amino]-1-methylpyrazin-2-one?
The canonical SMILES for 3-[[1-(aminomethyl)-4-methylcyclohexyl]amino]-1-methylpyrazin-2-one is CC1CCC(CN)(Nc2nccn(C)c2=O)CC1.
What is the InChIKey of 3-[[1-(aminomethyl)-4-methylcyclohexyl]amino]-1-methylpyrazin-2-one?
The InChIKey is DERSYEQVTZZNFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-10-3-5-13(9-14,6-4-10)16-11-12(18)17(2)8-7-15-11/h7-8,10H,3-6,9,14H2,1-2H3,(H,15,16).
What are the key properties of 3-[[1-(aminomethyl)-4-methylcyclohexyl]amino]-1-methylpyrazin-2-one?
3-[[1-(aminomethyl)-4-methylcyclohexyl]amino]-1-methylpyrazin-2-one has a molecular weight of 250.35 g/mol, XLogP of 1.10, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(aminomethyl)-4-methylcyclohexyl]amino]-1-methylpyrazin-2-one is sourced from PubChem (CID 55242191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).