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

C8H8N8OS — CID 17160035

IUPAC5-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCn1nnnc1SCc1cc(=O)n2[nH]cnc2n1
InChIInChI=1S/C8H8N8OS/c1-15-8(12-13-14-15)18-3-5-2-6(17)16-7(11-5)9-4-10-16/h2,4H,3H2,1H3,(H,9,10,11)
InChIKeyCXKVYQAPMAUAAF-UHFFFAOYSA-N
MW264.27 g/mol
LogP-0.77
Rot. Bonds3

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

5-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (PubChem CID 17160035) has the molecular formula C8H8N8OS and a molecular weight of 264.27 g/mol. Its IUPAC name is 5-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
PubChem CID17160035
Molecular FormulaC8H8N8OS
Molecular Weight264.27 g/mol
Exact Mass264.05
IUPAC Name5-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCn1nnnc1SCc1cc(=O)n2[nH]cnc2n1
InChIInChI=1S/C8H8N8OS/c1-15-8(12-13-14-15)18-3-5-2-6(17)16-7(11-5)9-4-10-16/h2,4H,3H2,1H3,(H,9,10,11)
InChIKeyCXKVYQAPMAUAAF-UHFFFAOYSA-N
XLogP-0.77
TPSA106.65 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.27
LogP ≤ 5-0.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (CID 17160035) is 5-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is Cn1nnnc1SCc1cc(=O)n2[nH]cnc2n1.
What is the InChIKey of 5-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The InChIKey is CXKVYQAPMAUAAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N8OS/c1-15-8(12-13-14-15)18-3-5-2-6(17)16-7(11-5)9-4-10-16/h2,4H,3H2,1H3,(H,9,10,11).
What are the key properties of 5-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
5-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one has a molecular weight of 264.27 g/mol, XLogP of -0.77, 3 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 17160035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).