2-methyl-7-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]chromen-4-one

C16H13N5O2 — CID 24882194

IUPAC2-methyl-7-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]chromen-4-one
SMILESCc1cc(Nc2ccc3c(=O)cc(C)oc3c2)n2ncnc2n1
InChIInChI=1S/C16H13N5O2/c1-9-5-15(21-16(19-9)17-8-18-21)20-11-3-4-12-13(22)6-10(2)23-14(12)7-11/h3-8,20H,1-2H3
InChIKeyLVJXULJLNCBDTN-UHFFFAOYSA-N
MW307.31 g/mol
LogP2.59
Rot. Bonds2

About 2-methyl-7-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]chromen-4-one

2-methyl-7-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]chromen-4-one (PubChem CID 24882194) has the molecular formula C16H13N5O2 and a molecular weight of 307.31 g/mol. Its IUPAC name is 2-methyl-7-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]chromen-4-one.

Molecular Properties

Compound Name2-methyl-7-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]chromen-4-one
PubChem CID24882194
Molecular FormulaC16H13N5O2
Molecular Weight307.31 g/mol
Exact Mass307.11
IUPAC Name2-methyl-7-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]chromen-4-one
SMILESCc1cc(Nc2ccc3c(=O)cc(C)oc3c2)n2ncnc2n1
InChIInChI=1S/C16H13N5O2/c1-9-5-15(21-16(19-9)17-8-18-21)20-11-3-4-12-13(22)6-10(2)23-14(12)7-11/h3-8,20H,1-2H3
InChIKeyLVJXULJLNCBDTN-UHFFFAOYSA-N
XLogP2.59
TPSA85.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.31
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-7-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]chromen-4-one?
The IUPAC name of 2-methyl-7-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]chromen-4-one (CID 24882194) is 2-methyl-7-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]chromen-4-one.
What is the SMILES notation for 2-methyl-7-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]chromen-4-one?
The canonical SMILES for 2-methyl-7-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]chromen-4-one is Cc1cc(Nc2ccc3c(=O)cc(C)oc3c2)n2ncnc2n1.
What is the InChIKey of 2-methyl-7-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]chromen-4-one?
The InChIKey is LVJXULJLNCBDTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5O2/c1-9-5-15(21-16(19-9)17-8-18-21)20-11-3-4-12-13(22)6-10(2)23-14(12)7-11/h3-8,20H,1-2H3.
What are the key properties of 2-methyl-7-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]chromen-4-one?
2-methyl-7-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]chromen-4-one has a molecular weight of 307.31 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-7-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]chromen-4-one is sourced from PubChem (CID 24882194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).