N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide

C18H18N6O3 — CID 51592806

IUPACN-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide
SMILESCC(C)c1cc(C(=O)Nc2ccc3c(c2)NC(=O)[C@H](C)O3)nc2ncnn12
InChIInChI=1S/C18H18N6O3/c1-9(2)14-7-13(23-18-19-8-20-24(14)18)17(26)21-11-4-5-15-12(6-11)22-16(25)10(3)27-15/h4-10H,1-3H3,(H,21,26)(H,22,25)/t10-/m0/s1
InChIKeyWJGORKLZZIHCFQ-JTQLQIEISA-N
MW366.38 g/mol
LogP2.22
Rot. Bonds3

About N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide

N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide (PubChem CID 51592806) has the molecular formula C18H18N6O3 and a molecular weight of 366.38 g/mol. Its IUPAC name is N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide
PubChem CID51592806
Molecular FormulaC18H18N6O3
Molecular Weight366.38 g/mol
Exact Mass366.14
IUPAC NameN-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide
SMILESCC(C)c1cc(C(=O)Nc2ccc3c(c2)NC(=O)[C@H](C)O3)nc2ncnn12
InChIInChI=1S/C18H18N6O3/c1-9(2)14-7-13(23-18-19-8-20-24(14)18)17(26)21-11-4-5-15-12(6-11)22-16(25)10(3)27-15/h4-10H,1-3H3,(H,21,26)(H,22,25)/t10-/m0/s1
InChIKeyWJGORKLZZIHCFQ-JTQLQIEISA-N
XLogP2.22
TPSA110.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.38
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide with MolForge

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Related Compounds

N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-1-phenyl-5-propan-2-ylpyrazole-3-carboxamide
CID 99714129
2-methyl-6-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-4H-1,4-benzoxazin-3-one
CID 166202631
(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)carbamic acid
CID 115170648
N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-6-oxo-1H-pyridazine-3-carboxamide
CID 46524350
N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]furan-3-carboxamide
CID 51640081
3-methyl-N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 9146698
7-methyl-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)imidazo[1,2-a]pyridine-2-carboxamide
CID 17467644
N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]naphthalene-2-carboxamide
CID 9145051
N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-2-(propan-2-ylamino)acetamide
CID 60843067
N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
CID 45155060
N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-4-phenylbenzamide
CID 9145109
5-chloro-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)furan-2-carboxamide
CID 46516497

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide?
The IUPAC name of N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide (CID 51592806) is N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide.
What is the SMILES notation for N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide?
The canonical SMILES for N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide is CC(C)c1cc(C(=O)Nc2ccc3c(c2)NC(=O)[C@H](C)O3)nc2ncnn12.
What is the InChIKey of N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide?
The InChIKey is WJGORKLZZIHCFQ-JTQLQIEISA-N. The full InChI is InChI=1S/C18H18N6O3/c1-9(2)14-7-13(23-18-19-8-20-24(14)18)17(26)21-11-4-5-15-12(6-11)22-16(25)10(3)27-15/h4-10H,1-3H3,(H,21,26)(H,22,25)/t10-/m0/s1.
What are the key properties of N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide?
N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide has a molecular weight of 366.38 g/mol, XLogP of 2.22, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide is sourced from PubChem (CID 51592806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).