5,6-dimethyl-3-(1-methyltetrazol-5-yl)sulfanylpyridazine-4-carbonitrile

C9H9N7S — CID 60725779

IUPAC5,6-dimethyl-3-(1-methyltetrazol-5-yl)sulfanylpyridazine-4-carbonitrile
SMILESCc1nnc(Sc2nnnn2C)c(C#N)c1C
InChIInChI=1S/C9H9N7S/c1-5-6(2)11-12-8(7(5)4-10)17-9-13-14-15-16(9)3/h1-3H3
InChIKeyQPGZKPLTHHHYOX-UHFFFAOYSA-N
MW247.29 g/mol
LogP0.64
Rot. Bonds2

About 5,6-dimethyl-3-(1-methyltetrazol-5-yl)sulfanylpyridazine-4-carbonitrile

5,6-dimethyl-3-(1-methyltetrazol-5-yl)sulfanylpyridazine-4-carbonitrile (PubChem CID 60725779) has the molecular formula C9H9N7S and a molecular weight of 247.29 g/mol. Its IUPAC name is 5,6-dimethyl-3-(1-methyltetrazol-5-yl)sulfanylpyridazine-4-carbonitrile.

Molecular Properties

Compound Name5,6-dimethyl-3-(1-methyltetrazol-5-yl)sulfanylpyridazine-4-carbonitrile
PubChem CID60725779
Molecular FormulaC9H9N7S
Molecular Weight247.29 g/mol
Exact Mass247.06
IUPAC Name5,6-dimethyl-3-(1-methyltetrazol-5-yl)sulfanylpyridazine-4-carbonitrile
SMILESCc1nnc(Sc2nnnn2C)c(C#N)c1C
InChIInChI=1S/C9H9N7S/c1-5-6(2)11-12-8(7(5)4-10)17-9-13-14-15-16(9)3/h1-3H3
InChIKeyQPGZKPLTHHHYOX-UHFFFAOYSA-N
XLogP0.64
TPSA93.17 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-3-(1-methyltetrazol-5-yl)sulfanylpyridazine-4-carbonitrile?
The IUPAC name of 5,6-dimethyl-3-(1-methyltetrazol-5-yl)sulfanylpyridazine-4-carbonitrile (CID 60725779) is 5,6-dimethyl-3-(1-methyltetrazol-5-yl)sulfanylpyridazine-4-carbonitrile.
What is the SMILES notation for 5,6-dimethyl-3-(1-methyltetrazol-5-yl)sulfanylpyridazine-4-carbonitrile?
The canonical SMILES for 5,6-dimethyl-3-(1-methyltetrazol-5-yl)sulfanylpyridazine-4-carbonitrile is Cc1nnc(Sc2nnnn2C)c(C#N)c1C.
What is the InChIKey of 5,6-dimethyl-3-(1-methyltetrazol-5-yl)sulfanylpyridazine-4-carbonitrile?
The InChIKey is QPGZKPLTHHHYOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N7S/c1-5-6(2)11-12-8(7(5)4-10)17-9-13-14-15-16(9)3/h1-3H3.
What are the key properties of 5,6-dimethyl-3-(1-methyltetrazol-5-yl)sulfanylpyridazine-4-carbonitrile?
5,6-dimethyl-3-(1-methyltetrazol-5-yl)sulfanylpyridazine-4-carbonitrile has a molecular weight of 247.29 g/mol, XLogP of 0.64, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-3-(1-methyltetrazol-5-yl)sulfanylpyridazine-4-carbonitrile is sourced from PubChem (CID 60725779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).