N-(5,6-dimethyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-methylpropanamide

C11H15N5O2 — CID 6472567

IUPACN-(5,6-dimethyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-methylpropanamide
SMILESCc1nc2nc(NC(=O)C(C)C)[nH]n2c(=O)c1C
InChIInChI=1S/C11H15N5O2/c1-5(2)8(17)13-10-14-11-12-7(4)6(3)9(18)16(11)15-10/h5H,1-4H3,(H2,12,13,14,15,17)
InChIKeyMPSJEGCWCKFFNP-UHFFFAOYSA-N
MW249.27 g/mol
LogP0.63
Rot. Bonds2

About N-(5,6-dimethyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-methylpropanamide

N-(5,6-dimethyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-methylpropanamide (PubChem CID 6472567) has the molecular formula C11H15N5O2 and a molecular weight of 249.27 g/mol. Its IUPAC name is N-(5,6-dimethyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-methylpropanamide.

Molecular Properties

Compound NameN-(5,6-dimethyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-methylpropanamide
PubChem CID6472567
Molecular FormulaC11H15N5O2
Molecular Weight249.27 g/mol
Exact Mass249.12
IUPAC NameN-(5,6-dimethyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-methylpropanamide
SMILESCc1nc2nc(NC(=O)C(C)C)[nH]n2c(=O)c1C
InChIInChI=1S/C11H15N5O2/c1-5(2)8(17)13-10-14-11-12-7(4)6(3)9(18)16(11)15-10/h5H,1-4H3,(H2,12,13,14,15,17)
InChIKeyMPSJEGCWCKFFNP-UHFFFAOYSA-N
XLogP0.63
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(7-hydroxy-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propanamide
CID 930424
N-(6-Ethyl-7-hydroxy-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-acetamide
CID 707206
N-(7-hydroxy-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)butanamide
CID 930740
2,5,6-trimethyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 15123685
2-Hydrazinyl-5,6-dimethyl-3,4-dihydropyrimidin-4-one
CID 135876280
N-(7-Hydroxy-5-isopropyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-propionamide
CID 606310
N-(7-hydroxy-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide
CID 930380
N'-(4,5-Dimethyl-6-oxo-1,6-dihydro-2-pyrimidinyl)acetohydrazide
CID 135437413
2-Amino-6-ethyl-5-methyl[1,2,4]triazolo[1,5-A]pyrimidin-7-OL
CID 4150420
2-amino-6-methyl-5-(trifluoromethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 63744067
N-(5,6-dimethyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide
CID 6457678
2-methyl-N-(5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propanamide
CID 6459834

Frequently Asked Questions

What is the IUPAC name of N-(5,6-dimethyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-methylpropanamide?
The IUPAC name of N-(5,6-dimethyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-methylpropanamide (CID 6472567) is N-(5,6-dimethyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-methylpropanamide.
What is the SMILES notation for N-(5,6-dimethyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-methylpropanamide?
The canonical SMILES for N-(5,6-dimethyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-methylpropanamide is Cc1nc2nc(NC(=O)C(C)C)[nH]n2c(=O)c1C.
What is the InChIKey of N-(5,6-dimethyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-methylpropanamide?
The InChIKey is MPSJEGCWCKFFNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O2/c1-5(2)8(17)13-10-14-11-12-7(4)6(3)9(18)16(11)15-10/h5H,1-4H3,(H2,12,13,14,15,17).
What are the key properties of N-(5,6-dimethyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-methylpropanamide?
N-(5,6-dimethyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-methylpropanamide has a molecular weight of 249.27 g/mol, XLogP of 0.63, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-dimethyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-methylpropanamide is sourced from PubChem (CID 6472567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).