6-methyl-2-(1-methyltetrazol-5-yl)sulfanylpyrimidine-4-carbonitrile

C8H7N7S — CID 107551301

IUPAC6-methyl-2-(1-methyltetrazol-5-yl)sulfanylpyrimidine-4-carbonitrile
SMILESCc1cc(C#N)nc(Sc2nnnn2C)n1
InChIInChI=1S/C8H7N7S/c1-5-3-6(4-9)11-7(10-5)16-8-12-13-14-15(8)2/h3H,1-2H3
InChIKeyPKVFRVPIZSCZAY-UHFFFAOYSA-N
MW233.26 g/mol
LogP0.33
Rot. Bonds2

About 6-methyl-2-(1-methyltetrazol-5-yl)sulfanylpyrimidine-4-carbonitrile

6-methyl-2-(1-methyltetrazol-5-yl)sulfanylpyrimidine-4-carbonitrile (PubChem CID 107551301) has the molecular formula C8H7N7S and a molecular weight of 233.26 g/mol. Its IUPAC name is 6-methyl-2-(1-methyltetrazol-5-yl)sulfanylpyrimidine-4-carbonitrile.

Molecular Properties

Compound Name6-methyl-2-(1-methyltetrazol-5-yl)sulfanylpyrimidine-4-carbonitrile
PubChem CID107551301
Molecular FormulaC8H7N7S
Molecular Weight233.26 g/mol
Exact Mass233.05
IUPAC Name6-methyl-2-(1-methyltetrazol-5-yl)sulfanylpyrimidine-4-carbonitrile
SMILESCc1cc(C#N)nc(Sc2nnnn2C)n1
InChIInChI=1S/C8H7N7S/c1-5-3-6(4-9)11-7(10-5)16-8-12-13-14-15(8)2/h3H,1-2H3
InChIKeyPKVFRVPIZSCZAY-UHFFFAOYSA-N
XLogP0.33
TPSA93.17 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.26
LogP ≤ 50.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(1-methyltetrazol-5-yl)sulfanylpyrimidine-4-carbonitrile?
The IUPAC name of 6-methyl-2-(1-methyltetrazol-5-yl)sulfanylpyrimidine-4-carbonitrile (CID 107551301) is 6-methyl-2-(1-methyltetrazol-5-yl)sulfanylpyrimidine-4-carbonitrile.
What is the SMILES notation for 6-methyl-2-(1-methyltetrazol-5-yl)sulfanylpyrimidine-4-carbonitrile?
The canonical SMILES for 6-methyl-2-(1-methyltetrazol-5-yl)sulfanylpyrimidine-4-carbonitrile is Cc1cc(C#N)nc(Sc2nnnn2C)n1.
What is the InChIKey of 6-methyl-2-(1-methyltetrazol-5-yl)sulfanylpyrimidine-4-carbonitrile?
The InChIKey is PKVFRVPIZSCZAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N7S/c1-5-3-6(4-9)11-7(10-5)16-8-12-13-14-15(8)2/h3H,1-2H3.
What are the key properties of 6-methyl-2-(1-methyltetrazol-5-yl)sulfanylpyrimidine-4-carbonitrile?
6-methyl-2-(1-methyltetrazol-5-yl)sulfanylpyrimidine-4-carbonitrile has a molecular weight of 233.26 g/mol, XLogP of 0.33, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(1-methyltetrazol-5-yl)sulfanylpyrimidine-4-carbonitrile is sourced from PubChem (CID 107551301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).