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

C9H13N5OS — CID 66218445

IUPAC5-(2-aminopropylsulfanylmethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCC(N)CSCc1cc(=O)n2[nH]cnc2n1
InChIInChI=1S/C9H13N5OS/c1-6(10)3-16-4-7-2-8(15)14-9(13-7)11-5-12-14/h2,5-6H,3-4,10H2,1H3,(H,11,12,13)
InChIKeyAVASCLJXDDHWLD-UHFFFAOYSA-N
MW239.30 g/mol
LogP-0.00
Rot. Bonds4

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

5-(2-aminopropylsulfanylmethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (PubChem CID 66218445) has the molecular formula C9H13N5OS and a molecular weight of 239.30 g/mol. Its IUPAC name is 5-(2-aminopropylsulfanylmethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-(2-aminopropylsulfanylmethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
PubChem CID66218445
Molecular FormulaC9H13N5OS
Molecular Weight239.30 g/mol
Exact Mass239.08
IUPAC Name5-(2-aminopropylsulfanylmethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCC(N)CSCc1cc(=O)n2[nH]cnc2n1
InChIInChI=1S/C9H13N5OS/c1-6(10)3-16-4-7-2-8(15)14-9(13-7)11-5-12-14/h2,5-6H,3-4,10H2,1H3,(H,11,12,13)
InChIKeyAVASCLJXDDHWLD-UHFFFAOYSA-N
XLogP-0.00
TPSA89.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.30
LogP ≤ 5-0.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-(2-aminopropylsulfanylmethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminopropylsulfanylmethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-(2-aminopropylsulfanylmethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (CID 66218445) is 5-(2-aminopropylsulfanylmethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-(2-aminopropylsulfanylmethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-(2-aminopropylsulfanylmethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is CC(N)CSCc1cc(=O)n2[nH]cnc2n1.
What is the InChIKey of 5-(2-aminopropylsulfanylmethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The InChIKey is AVASCLJXDDHWLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5OS/c1-6(10)3-16-4-7-2-8(15)14-9(13-7)11-5-12-14/h2,5-6H,3-4,10H2,1H3,(H,11,12,13).
What are the key properties of 5-(2-aminopropylsulfanylmethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
5-(2-aminopropylsulfanylmethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one has a molecular weight of 239.30 g/mol, XLogP of -0.00, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminopropylsulfanylmethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 66218445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).