5-methyl-7-[2-(methylaminomethyl)pyrrolidin-1-yl]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one

C12H18N6O — CID 66275557

IUPAC5-methyl-7-[2-(methylaminomethyl)pyrrolidin-1-yl]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
SMILESCNCC1CCCN1c1cc2n[nH]c(=O)n2c(C)n1
InChIInChI=1S/C12H18N6O/c1-8-14-10(6-11-15-16-12(19)18(8)11)17-5-3-4-9(17)7-13-2/h6,9,13H,3-5,7H2,1-2H3,(H,16,19)
InChIKeyMDZDFVKRHVYVMN-UHFFFAOYSA-N
MW262.32 g/mol
LogP-0.09
Rot. Bonds3

About 5-methyl-7-[2-(methylaminomethyl)pyrrolidin-1-yl]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one

5-methyl-7-[2-(methylaminomethyl)pyrrolidin-1-yl]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one (PubChem CID 66275557) has the molecular formula C12H18N6O and a molecular weight of 262.32 g/mol. Its IUPAC name is 5-methyl-7-[2-(methylaminomethyl)pyrrolidin-1-yl]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one.

Molecular Properties

Compound Name5-methyl-7-[2-(methylaminomethyl)pyrrolidin-1-yl]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
PubChem CID66275557
Molecular FormulaC12H18N6O
Molecular Weight262.32 g/mol
Exact Mass262.15
IUPAC Name5-methyl-7-[2-(methylaminomethyl)pyrrolidin-1-yl]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
SMILESCNCC1CCCN1c1cc2n[nH]c(=O)n2c(C)n1
InChIInChI=1S/C12H18N6O/c1-8-14-10(6-11-15-16-12(19)18(8)11)17-5-3-4-9(17)7-13-2/h6,9,13H,3-5,7H2,1-2H3,(H,16,19)
InChIKeyMDZDFVKRHVYVMN-UHFFFAOYSA-N
XLogP-0.09
TPSA78.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.32
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-7-[2-(methylaminomethyl)pyrrolidin-1-yl]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The IUPAC name of 5-methyl-7-[2-(methylaminomethyl)pyrrolidin-1-yl]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one (CID 66275557) is 5-methyl-7-[2-(methylaminomethyl)pyrrolidin-1-yl]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one.
What is the SMILES notation for 5-methyl-7-[2-(methylaminomethyl)pyrrolidin-1-yl]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The canonical SMILES for 5-methyl-7-[2-(methylaminomethyl)pyrrolidin-1-yl]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one is CNCC1CCCN1c1cc2n[nH]c(=O)n2c(C)n1.
What is the InChIKey of 5-methyl-7-[2-(methylaminomethyl)pyrrolidin-1-yl]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The InChIKey is MDZDFVKRHVYVMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6O/c1-8-14-10(6-11-15-16-12(19)18(8)11)17-5-3-4-9(17)7-13-2/h6,9,13H,3-5,7H2,1-2H3,(H,16,19).
What are the key properties of 5-methyl-7-[2-(methylaminomethyl)pyrrolidin-1-yl]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
5-methyl-7-[2-(methylaminomethyl)pyrrolidin-1-yl]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one has a molecular weight of 262.32 g/mol, XLogP of -0.09, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-7-[2-(methylaminomethyl)pyrrolidin-1-yl]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one is sourced from PubChem (CID 66275557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).