5-methyl-7-[[2-methyl-3-(methylamino)propyl]amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one

C11H18N6O — CID 113282680

IUPAC5-methyl-7-[[2-methyl-3-(methylamino)propyl]amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
SMILESCNCC(C)CNc1cc2n[nH]c(=O)n2c(C)n1
InChIInChI=1S/C11H18N6O/c1-7(5-12-3)6-13-9-4-10-15-16-11(18)17(10)8(2)14-9/h4,7,12-13H,5-6H2,1-3H3,(H,16,18)
InChIKeyYQNMVFRGVMJECK-UHFFFAOYSA-N
MW250.31 g/mol
LogP-0.01
Rot. Bonds5

About 5-methyl-7-[[2-methyl-3-(methylamino)propyl]amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one

5-methyl-7-[[2-methyl-3-(methylamino)propyl]amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one (PubChem CID 113282680) has the molecular formula C11H18N6O and a molecular weight of 250.31 g/mol. Its IUPAC name is 5-methyl-7-[[2-methyl-3-(methylamino)propyl]amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one.

Molecular Properties

Compound Name5-methyl-7-[[2-methyl-3-(methylamino)propyl]amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
PubChem CID113282680
Molecular FormulaC11H18N6O
Molecular Weight250.31 g/mol
Exact Mass250.15
IUPAC Name5-methyl-7-[[2-methyl-3-(methylamino)propyl]amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
SMILESCNCC(C)CNc1cc2n[nH]c(=O)n2c(C)n1
InChIInChI=1S/C11H18N6O/c1-7(5-12-3)6-13-9-4-10-15-16-11(18)17(10)8(2)14-9/h4,7,12-13H,5-6H2,1-3H3,(H,16,18)
InChIKeyYQNMVFRGVMJECK-UHFFFAOYSA-N
XLogP-0.01
TPSA87.11 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.31
LogP ≤ 5-0.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-7-[[2-methyl-3-(methylamino)propyl]amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The IUPAC name of 5-methyl-7-[[2-methyl-3-(methylamino)propyl]amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one (CID 113282680) is 5-methyl-7-[[2-methyl-3-(methylamino)propyl]amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one.
What is the SMILES notation for 5-methyl-7-[[2-methyl-3-(methylamino)propyl]amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The canonical SMILES for 5-methyl-7-[[2-methyl-3-(methylamino)propyl]amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one is CNCC(C)CNc1cc2n[nH]c(=O)n2c(C)n1.
What is the InChIKey of 5-methyl-7-[[2-methyl-3-(methylamino)propyl]amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The InChIKey is YQNMVFRGVMJECK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N6O/c1-7(5-12-3)6-13-9-4-10-15-16-11(18)17(10)8(2)14-9/h4,7,12-13H,5-6H2,1-3H3,(H,16,18).
What are the key properties of 5-methyl-7-[[2-methyl-3-(methylamino)propyl]amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
5-methyl-7-[[2-methyl-3-(methylamino)propyl]amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one has a molecular weight of 250.31 g/mol, XLogP of -0.01, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-7-[[2-methyl-3-(methylamino)propyl]amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one is sourced from PubChem (CID 113282680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).