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

C10H12ClN5O2 — CID 23607382

IUPACN-(6-chloro-5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-methylpropanamide
SMILESCc1nc2nc(NC(=O)C(C)C)[nH]n2c(=O)c1Cl
InChIInChI=1S/C10H12ClN5O2/c1-4(2)7(17)13-9-14-10-12-5(3)6(11)8(18)16(10)15-9/h4H,1-3H3,(H2,12,13,14,15,17)
InChIKeyUKRMOHYMUMNIOL-UHFFFAOYSA-N
MW269.69 g/mol
LogP0.97
Rot. Bonds2

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

N-(6-chloro-5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-methylpropanamide (PubChem CID 23607382) has the molecular formula C10H12ClN5O2 and a molecular weight of 269.69 g/mol. Its IUPAC name is N-(6-chloro-5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-methylpropanamide.

Molecular Properties

Compound NameN-(6-chloro-5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-methylpropanamide
PubChem CID23607382
Molecular FormulaC10H12ClN5O2
Molecular Weight269.69 g/mol
Exact Mass269.07
IUPAC NameN-(6-chloro-5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-methylpropanamide
SMILESCc1nc2nc(NC(=O)C(C)C)[nH]n2c(=O)c1Cl
InChIInChI=1S/C10H12ClN5O2/c1-4(2)7(17)13-9-14-10-12-5(3)6(11)8(18)16(10)15-9/h4H,1-3H3,(H2,12,13,14,15,17)
InChIKeyUKRMOHYMUMNIOL-UHFFFAOYSA-N
XLogP0.97
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.69
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-methylpropanamide?
The IUPAC name of N-(6-chloro-5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-methylpropanamide (CID 23607382) is N-(6-chloro-5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-methylpropanamide.
What is the SMILES notation for N-(6-chloro-5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-methylpropanamide?
The canonical SMILES for N-(6-chloro-5-methyl-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)c1Cl.
What is the InChIKey of N-(6-chloro-5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-methylpropanamide?
The InChIKey is UKRMOHYMUMNIOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN5O2/c1-4(2)7(17)13-9-14-10-12-5(3)6(11)8(18)16(10)15-9/h4H,1-3H3,(H2,12,13,14,15,17).
What are the key properties of N-(6-chloro-5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-methylpropanamide?
N-(6-chloro-5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-methylpropanamide has a molecular weight of 269.69 g/mol, XLogP of 0.97, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-methylpropanamide is sourced from PubChem (CID 23607382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).