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

C9H13N5O — CID 66281396

IUPAC5-methyl-7-(propylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
SMILESCCCNc1cc2n[nH]c(=O)n2c(C)n1
InChIInChI=1S/C9H13N5O/c1-3-4-10-7-5-8-12-13-9(15)14(8)6(2)11-7/h5,10H,3-4H2,1-2H3,(H,13,15)
InChIKeyOWAXOAQYFYNPOV-UHFFFAOYSA-N
MW207.24 g/mol
LogP0.55
Rot. Bonds3

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

5-methyl-7-(propylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one (PubChem CID 66281396) has the molecular formula C9H13N5O and a molecular weight of 207.24 g/mol. Its IUPAC name is 5-methyl-7-(propylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one.

Molecular Properties

Compound Name5-methyl-7-(propylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
PubChem CID66281396
Molecular FormulaC9H13N5O
Molecular Weight207.24 g/mol
Exact Mass207.11
IUPAC Name5-methyl-7-(propylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
SMILESCCCNc1cc2n[nH]c(=O)n2c(C)n1
InChIInChI=1S/C9H13N5O/c1-3-4-10-7-5-8-12-13-9(15)14(8)6(2)11-7/h5,10H,3-4H2,1-2H3,(H,13,15)
InChIKeyOWAXOAQYFYNPOV-UHFFFAOYSA-N
XLogP0.55
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.24
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-7-(propylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The IUPAC name of 5-methyl-7-(propylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one (CID 66281396) is 5-methyl-7-(propylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one.
What is the SMILES notation for 5-methyl-7-(propylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The canonical SMILES for 5-methyl-7-(propylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one is CCCNc1cc2n[nH]c(=O)n2c(C)n1.
What is the InChIKey of 5-methyl-7-(propylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The InChIKey is OWAXOAQYFYNPOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5O/c1-3-4-10-7-5-8-12-13-9(15)14(8)6(2)11-7/h5,10H,3-4H2,1-2H3,(H,13,15).
What are the key properties of 5-methyl-7-(propylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
5-methyl-7-(propylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one has a molecular weight of 207.24 g/mol, XLogP of 0.55, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-7-(propylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one is sourced from PubChem (CID 66281396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).