3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(1-methyl-2-oxo-3-pyridinyl)propanamide

C16H18N6O2 — CID 56805680

IUPAC3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(1-methyl-2-oxo-3-pyridinyl)propanamide
SMILESCc1nc2ncnn2c(C)c1CCC(=O)Nc1cccn(C)c1=O
InChIInChI=1S/C16H18N6O2/c1-10-12(11(2)22-16(19-10)17-9-18-22)6-7-14(23)20-13-5-4-8-21(3)15(13)24/h4-5,8-9H,6-7H2,1-3H3,(H,20,23)
InChIKeyVIMVYUDQXALGEP-UHFFFAOYSA-N
MW326.36 g/mol
LogP1.01
Rot. Bonds4

About 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(1-methyl-2-oxo-3-pyridinyl)propanamide

3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(1-methyl-2-oxo-3-pyridinyl)propanamide (PubChem CID 56805680) has the molecular formula C16H18N6O2 and a molecular weight of 326.36 g/mol. Its IUPAC name is 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(1-methyl-2-oxo-3-pyridinyl)propanamide.

Molecular Properties

Compound Name3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(1-methyl-2-oxo-3-pyridinyl)propanamide
PubChem CID56805680
Molecular FormulaC16H18N6O2
Molecular Weight326.36 g/mol
Exact Mass326.15
IUPAC Name3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(1-methyl-2-oxo-3-pyridinyl)propanamide
SMILESCc1nc2ncnn2c(C)c1CCC(=O)Nc1cccn(C)c1=O
InChIInChI=1S/C16H18N6O2/c1-10-12(11(2)22-16(19-10)17-9-18-22)6-7-14(23)20-13-5-4-8-21(3)15(13)24/h4-5,8-9H,6-7H2,1-3H3,(H,20,23)
InChIKeyVIMVYUDQXALGEP-UHFFFAOYSA-N
XLogP1.01
TPSA94.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(1-methyl-2-oxo-3-pyridinyl)propanamide?
The IUPAC name of 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(1-methyl-2-oxo-3-pyridinyl)propanamide (CID 56805680) is 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(1-methyl-2-oxo-3-pyridinyl)propanamide.
What is the SMILES notation for 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(1-methyl-2-oxo-3-pyridinyl)propanamide?
The canonical SMILES for 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(1-methyl-2-oxo-3-pyridinyl)propanamide is Cc1nc2ncnn2c(C)c1CCC(=O)Nc1cccn(C)c1=O.
What is the InChIKey of 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(1-methyl-2-oxo-3-pyridinyl)propanamide?
The InChIKey is VIMVYUDQXALGEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O2/c1-10-12(11(2)22-16(19-10)17-9-18-22)6-7-14(23)20-13-5-4-8-21(3)15(13)24/h4-5,8-9H,6-7H2,1-3H3,(H,20,23).
What are the key properties of 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(1-methyl-2-oxo-3-pyridinyl)propanamide?
3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(1-methyl-2-oxo-3-pyridinyl)propanamide has a molecular weight of 326.36 g/mol, XLogP of 1.01, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(1-methyl-2-oxo-3-pyridinyl)propanamide is sourced from PubChem (CID 56805680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).