2-[(1-methyltetrazol-5-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine

C9H9N7S — CID 708775

IUPAC2-[(1-methyltetrazol-5-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine
SMILESCn1nnnc1SCc1cn2cccnc2n1
InChIInChI=1S/C9H9N7S/c1-15-9(12-13-14-15)17-6-7-5-16-4-2-3-10-8(16)11-7/h2-5H,6H2,1H3
InChIKeyQJJXFOMVCPFQCE-UHFFFAOYSA-N
MW247.29 g/mol
LogP0.55
Rot. Bonds3

About 2-[(1-methyltetrazol-5-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine

2-[(1-methyltetrazol-5-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine (PubChem CID 708775) has the molecular formula C9H9N7S and a molecular weight of 247.29 g/mol. Its IUPAC name is 2-[(1-methyltetrazol-5-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine.

Molecular Properties

Compound Name2-[(1-methyltetrazol-5-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine
PubChem CID708775
Molecular FormulaC9H9N7S
Molecular Weight247.29 g/mol
Exact Mass247.06
IUPAC Name2-[(1-methyltetrazol-5-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine
SMILESCn1nnnc1SCc1cn2cccnc2n1
InChIInChI=1S/C9H9N7S/c1-15-9(12-13-14-15)17-6-7-5-16-4-2-3-10-8(16)11-7/h2-5H,6H2,1H3
InChIKeyQJJXFOMVCPFQCE-UHFFFAOYSA-N
XLogP0.55
TPSA73.79 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 50.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-methyltetrazol-5-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine?
The IUPAC name of 2-[(1-methyltetrazol-5-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine (CID 708775) is 2-[(1-methyltetrazol-5-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine.
What is the SMILES notation for 2-[(1-methyltetrazol-5-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine?
The canonical SMILES for 2-[(1-methyltetrazol-5-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine is Cn1nnnc1SCc1cn2cccnc2n1.
What is the InChIKey of 2-[(1-methyltetrazol-5-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine?
The InChIKey is QJJXFOMVCPFQCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N7S/c1-15-9(12-13-14-15)17-6-7-5-16-4-2-3-10-8(16)11-7/h2-5H,6H2,1H3.
What are the key properties of 2-[(1-methyltetrazol-5-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine?
2-[(1-methyltetrazol-5-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine has a molecular weight of 247.29 g/mol, XLogP of 0.55, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methyltetrazol-5-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine is sourced from PubChem (CID 708775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).