2-methyl-6-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-4H-1,4-benzoxazin-3-one

C15H14N6O2 — CID 166202631

IUPAC2-methyl-6-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-4H-1,4-benzoxazin-3-one
SMILESCc1cc(Nc2ccc3c(c2)NC(=O)C(C)O3)n2ncnc2n1
InChIInChI=1S/C15H14N6O2/c1-8-5-13(21-15(18-8)16-7-17-21)19-10-3-4-12-11(6-10)20-14(22)9(2)23-12/h3-7,9,19H,1-2H3,(H,20,22)
InChIKeyVHKFBFDAJULSOW-UHFFFAOYSA-N
MW310.32 g/mol
LogP1.90
Rot. Bonds2

About 2-methyl-6-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-4H-1,4-benzoxazin-3-one

2-methyl-6-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-4H-1,4-benzoxazin-3-one (PubChem CID 166202631) has the molecular formula C15H14N6O2 and a molecular weight of 310.32 g/mol. Its IUPAC name is 2-methyl-6-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-4H-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name2-methyl-6-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-4H-1,4-benzoxazin-3-one
PubChem CID166202631
Molecular FormulaC15H14N6O2
Molecular Weight310.32 g/mol
Exact Mass310.12
IUPAC Name2-methyl-6-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-4H-1,4-benzoxazin-3-one
SMILESCc1cc(Nc2ccc3c(c2)NC(=O)C(C)O3)n2ncnc2n1
InChIInChI=1S/C15H14N6O2/c1-8-5-13(21-15(18-8)16-7-17-21)19-10-3-4-12-11(6-10)20-14(22)9(2)23-12/h3-7,9,19H,1-2H3,(H,20,22)
InChIKeyVHKFBFDAJULSOW-UHFFFAOYSA-N
XLogP1.90
TPSA93.44 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.32
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-methoxyphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 522990
3-N-(2-methoxy-5-morpholin-4-ylphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine
CID 56595689
N-[4-[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]-2,3-dihydro-1,4-benzoxazin-6-yl]acetamide
CID 70692774
N-(2,4-dimethoxyphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 1854652
[2-(2-Ethoxyanilino)-2-oxoethyl] 7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate
CID 2472199
1-(5-Methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-piperidine-3-carboxylic acid (2-methoxy-phenyl)-amide
CID 3227367
(2-Ethoxy-phenyl)-(5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-amine
CID 1430122
1-(6-Ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-piperidine-3-carboxylic acid (4-ethoxy-phenyl)-amide
CID 3227347
1-(6-Ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-piperidine-3-carboxylic acid (2-ethoxy-phenyl)-amide
CID 3227349
N-(2-ethoxyphenyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 5309013
N-(4-tert-butoxyphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 54583365
4-methyl-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,4-benzoxazin-3-one
CID 53374107

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-4H-1,4-benzoxazin-3-one?
The IUPAC name of 2-methyl-6-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-4H-1,4-benzoxazin-3-one (CID 166202631) is 2-methyl-6-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-4H-1,4-benzoxazin-3-one.
What is the SMILES notation for 2-methyl-6-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-4H-1,4-benzoxazin-3-one?
The canonical SMILES for 2-methyl-6-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-4H-1,4-benzoxazin-3-one is Cc1cc(Nc2ccc3c(c2)NC(=O)C(C)O3)n2ncnc2n1.
What is the InChIKey of 2-methyl-6-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-4H-1,4-benzoxazin-3-one?
The InChIKey is VHKFBFDAJULSOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N6O2/c1-8-5-13(21-15(18-8)16-7-17-21)19-10-3-4-12-11(6-10)20-14(22)9(2)23-12/h3-7,9,19H,1-2H3,(H,20,22).
What are the key properties of 2-methyl-6-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-4H-1,4-benzoxazin-3-one?
2-methyl-6-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-4H-1,4-benzoxazin-3-one has a molecular weight of 310.32 g/mol, XLogP of 1.90, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-4H-1,4-benzoxazin-3-one is sourced from PubChem (CID 166202631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).