1-cyclopropyl-5-[6-[(dimethylamino)methyl]-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]pyridin-2-one

C18H24N6O2 — CID 154768129

IUPAC1-cyclopropyl-5-[6-[(dimethylamino)methyl]-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]pyridin-2-one
SMILESCc1nnc2n1CC(CN(C)C)N(C(=O)c1ccc(=O)n(C3CC3)c1)C2
InChIInChI=1S/C18H24N6O2/c1-12-19-20-16-11-24(15(9-21(2)3)10-22(12)16)18(26)13-4-7-17(25)23(8-13)14-5-6-14/h4,7-8,14-15H,5-6,9-11H2,1-3H3
InChIKeyAGUVFFLFJGJGKF-UHFFFAOYSA-N
MW356.43 g/mol
LogP0.67
Rot. Bonds4

About 1-cyclopropyl-5-[6-[(dimethylamino)methyl]-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]pyridin-2-one

1-cyclopropyl-5-[6-[(dimethylamino)methyl]-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]pyridin-2-one (PubChem CID 154768129) has the molecular formula C18H24N6O2 and a molecular weight of 356.43 g/mol. Its IUPAC name is 1-cyclopropyl-5-[6-[(dimethylamino)methyl]-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]pyridin-2-one.

Molecular Properties

Compound Name1-cyclopropyl-5-[6-[(dimethylamino)methyl]-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]pyridin-2-one
PubChem CID154768129
Molecular FormulaC18H24N6O2
Molecular Weight356.43 g/mol
Exact Mass356.20
IUPAC Name1-cyclopropyl-5-[6-[(dimethylamino)methyl]-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]pyridin-2-one
SMILESCc1nnc2n1CC(CN(C)C)N(C(=O)c1ccc(=O)n(C3CC3)c1)C2
InChIInChI=1S/C18H24N6O2/c1-12-19-20-16-11-24(15(9-21(2)3)10-22(12)16)18(26)13-4-7-17(25)23(8-13)14-5-6-14/h4,7-8,14-15H,5-6,9-11H2,1-3H3
InChIKeyAGUVFFLFJGJGKF-UHFFFAOYSA-N
XLogP0.67
TPSA76.26 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 50.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-5-[6-[(dimethylamino)methyl]-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]pyridin-2-one?
The IUPAC name of 1-cyclopropyl-5-[6-[(dimethylamino)methyl]-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]pyridin-2-one (CID 154768129) is 1-cyclopropyl-5-[6-[(dimethylamino)methyl]-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]pyridin-2-one.
What is the SMILES notation for 1-cyclopropyl-5-[6-[(dimethylamino)methyl]-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]pyridin-2-one?
The canonical SMILES for 1-cyclopropyl-5-[6-[(dimethylamino)methyl]-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]pyridin-2-one is Cc1nnc2n1CC(CN(C)C)N(C(=O)c1ccc(=O)n(C3CC3)c1)C2.
What is the InChIKey of 1-cyclopropyl-5-[6-[(dimethylamino)methyl]-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]pyridin-2-one?
The InChIKey is AGUVFFLFJGJGKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O2/c1-12-19-20-16-11-24(15(9-21(2)3)10-22(12)16)18(26)13-4-7-17(25)23(8-13)14-5-6-14/h4,7-8,14-15H,5-6,9-11H2,1-3H3.
What are the key properties of 1-cyclopropyl-5-[6-[(dimethylamino)methyl]-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]pyridin-2-one?
1-cyclopropyl-5-[6-[(dimethylamino)methyl]-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]pyridin-2-one has a molecular weight of 356.43 g/mol, XLogP of 0.67, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-5-[6-[(dimethylamino)methyl]-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]pyridin-2-one is sourced from PubChem (CID 154768129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).