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

C15H14ClN5O3 — CID 23607390

IUPACN-(6-chloro-5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-phenoxypropanamide
SMILESCc1nc2nc(NC(=O)C(C)Oc3ccccc3)[nH]n2c(=O)c1Cl
InChIInChI=1S/C15H14ClN5O3/c1-8-11(16)13(23)21-15(17-8)19-14(20-21)18-12(22)9(2)24-10-6-4-3-5-7-10/h3-7,9H,1-2H3,(H2,17,18,19,20,22)
InChIKeyVEHCRRXMRIWEHE-UHFFFAOYSA-N
MW347.76 g/mol
LogP1.79
Rot. Bonds4

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

N-(6-chloro-5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-phenoxypropanamide (PubChem CID 23607390) has the molecular formula C15H14ClN5O3 and a molecular weight of 347.76 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-phenoxypropanamide.

Molecular Properties

Compound NameN-(6-chloro-5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-phenoxypropanamide
PubChem CID23607390
Molecular FormulaC15H14ClN5O3
Molecular Weight347.76 g/mol
Exact Mass347.08
IUPAC NameN-(6-chloro-5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-phenoxypropanamide
SMILESCc1nc2nc(NC(=O)C(C)Oc3ccccc3)[nH]n2c(=O)c1Cl
InChIInChI=1S/C15H14ClN5O3/c1-8-11(16)13(23)21-15(17-8)19-14(20-21)18-12(22)9(2)24-10-6-4-3-5-7-10/h3-7,9H,1-2H3,(H2,17,18,19,20,22)
InChIKeyVEHCRRXMRIWEHE-UHFFFAOYSA-N
XLogP1.79
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.76
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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-phenoxypropanamide?
The IUPAC name of N-(6-chloro-5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-phenoxypropanamide (CID 23607390) is N-(6-chloro-5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-phenoxypropanamide.
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-phenoxypropanamide?
The canonical SMILES for N-(6-chloro-5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-phenoxypropanamide is Cc1nc2nc(NC(=O)C(C)Oc3ccccc3)[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-phenoxypropanamide?
The InChIKey is VEHCRRXMRIWEHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN5O3/c1-8-11(16)13(23)21-15(17-8)19-14(20-21)18-12(22)9(2)24-10-6-4-3-5-7-10/h3-7,9H,1-2H3,(H2,17,18,19,20,22).
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-phenoxypropanamide?
N-(6-chloro-5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-phenoxypropanamide has a molecular weight of 347.76 g/mol, XLogP of 1.79, 4 rotatable bonds, 2 hydrogen bond donors, and 6 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-phenoxypropanamide is sourced from PubChem (CID 23607390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).