4-(cyclopropylmethyl)-6-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one

C12H15N3O — CID 81137860

IUPAC4-(cyclopropylmethyl)-6-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one
SMILESCc1ccc2c(n1)N(CC1CC1)CC(=O)N2
InChIInChI=1S/C12H15N3O/c1-8-2-5-10-12(13-8)15(6-9-3-4-9)7-11(16)14-10/h2,5,9H,3-4,6-7H2,1H3,(H,14,16)
InChIKeyQMQCHOYJGNKYBD-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.56
Rot. Bonds2

About 4-(cyclopropylmethyl)-6-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one

4-(cyclopropylmethyl)-6-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one (PubChem CID 81137860) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 4-(cyclopropylmethyl)-6-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one.

Molecular Properties

Compound Name4-(cyclopropylmethyl)-6-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one
PubChem CID81137860
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name4-(cyclopropylmethyl)-6-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one
SMILESCc1ccc2c(n1)N(CC1CC1)CC(=O)N2
InChIInChI=1S/C12H15N3O/c1-8-2-5-10-12(13-8)15(6-9-3-4-9)7-11(16)14-10/h2,5,9H,3-4,6-7H2,1H3,(H,14,16)
InChIKeyQMQCHOYJGNKYBD-UHFFFAOYSA-N
XLogP1.56
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylmethyl)-6-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one?
The IUPAC name of 4-(cyclopropylmethyl)-6-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one (CID 81137860) is 4-(cyclopropylmethyl)-6-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one.
What is the SMILES notation for 4-(cyclopropylmethyl)-6-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one?
The canonical SMILES for 4-(cyclopropylmethyl)-6-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one is Cc1ccc2c(n1)N(CC1CC1)CC(=O)N2.
What is the InChIKey of 4-(cyclopropylmethyl)-6-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one?
The InChIKey is QMQCHOYJGNKYBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-8-2-5-10-12(13-8)15(6-9-3-4-9)7-11(16)14-10/h2,5,9H,3-4,6-7H2,1H3,(H,14,16).
What are the key properties of 4-(cyclopropylmethyl)-6-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one?
4-(cyclopropylmethyl)-6-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one has a molecular weight of 217.27 g/mol, XLogP of 1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylmethyl)-6-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one is sourced from PubChem (CID 81137860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).