5-methyl-2-[(2-methylanilino)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

C14H15N5O — CID 53013492

IUPAC5-methyl-2-[(2-methylanilino)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCc1cc(=O)n2[nH]c(CNc3ccccc3C)nc2n1
InChIInChI=1S/C14H15N5O/c1-9-5-3-4-6-11(9)15-8-12-17-14-16-10(2)7-13(20)19(14)18-12/h3-7,15H,8H2,1-2H3,(H,16,17,18)
InChIKeyJWEIQHUWXGTTIU-UHFFFAOYSA-N
MW269.31 g/mol
LogP1.65
Rot. Bonds3

About 5-methyl-2-[(2-methylanilino)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

5-methyl-2-[(2-methylanilino)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (PubChem CID 53013492) has the molecular formula C14H15N5O and a molecular weight of 269.31 g/mol. Its IUPAC name is 5-methyl-2-[(2-methylanilino)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-methyl-2-[(2-methylanilino)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
PubChem CID53013492
Molecular FormulaC14H15N5O
Molecular Weight269.31 g/mol
Exact Mass269.13
IUPAC Name5-methyl-2-[(2-methylanilino)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCc1cc(=O)n2[nH]c(CNc3ccccc3C)nc2n1
InChIInChI=1S/C14H15N5O/c1-9-5-3-4-6-11(9)15-8-12-17-14-16-10(2)7-13(20)19(14)18-12/h3-7,15H,8H2,1-2H3,(H,16,17,18)
InChIKeyJWEIQHUWXGTTIU-UHFFFAOYSA-N
XLogP1.65
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[(2-methylanilino)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-methyl-2-[(2-methylanilino)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (CID 53013492) is 5-methyl-2-[(2-methylanilino)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-methyl-2-[(2-methylanilino)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-methyl-2-[(2-methylanilino)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is Cc1cc(=O)n2[nH]c(CNc3ccccc3C)nc2n1.
What is the InChIKey of 5-methyl-2-[(2-methylanilino)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The InChIKey is JWEIQHUWXGTTIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O/c1-9-5-3-4-6-11(9)15-8-12-17-14-16-10(2)7-13(20)19(14)18-12/h3-7,15H,8H2,1-2H3,(H,16,17,18).
What are the key properties of 5-methyl-2-[(2-methylanilino)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
5-methyl-2-[(2-methylanilino)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one has a molecular weight of 269.31 g/mol, XLogP of 1.65, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[(2-methylanilino)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 53013492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).