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

C7H5N7S — CID 107551300

IUPAC2-(1-methyltetrazol-5-yl)sulfanylpyrimidine-4-carbonitrile
SMILESCn1nnnc1Sc1nccc(C#N)n1
InChIInChI=1S/C7H5N7S/c1-14-7(11-12-13-14)15-6-9-3-2-5(4-8)10-6/h2-3H,1H3
InChIKeyAEZUZMYATMYPJW-UHFFFAOYSA-N
MW219.23 g/mol
LogP0.02
Rot. Bonds2

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

2-(1-methyltetrazol-5-yl)sulfanylpyrimidine-4-carbonitrile (PubChem CID 107551300) has the molecular formula C7H5N7S and a molecular weight of 219.23 g/mol. Its IUPAC name is 2-(1-methyltetrazol-5-yl)sulfanylpyrimidine-4-carbonitrile.

Molecular Properties

Compound Name2-(1-methyltetrazol-5-yl)sulfanylpyrimidine-4-carbonitrile
PubChem CID107551300
Molecular FormulaC7H5N7S
Molecular Weight219.23 g/mol
Exact Mass219.03
IUPAC Name2-(1-methyltetrazol-5-yl)sulfanylpyrimidine-4-carbonitrile
SMILESCn1nnnc1Sc1nccc(C#N)n1
InChIInChI=1S/C7H5N7S/c1-14-7(11-12-13-14)15-6-9-3-2-5(4-8)10-6/h2-3H,1H3
InChIKeyAEZUZMYATMYPJW-UHFFFAOYSA-N
XLogP0.02
TPSA93.17 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.23
LogP ≤ 50.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrimidine-4-carbonitrile
CID 107551511
2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrimidine-4-carbonitrile
CID 107551401
2-[(4-ethyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]pyrimidine-4-carbonitrile
CID 107551443
2-chloro-4-(1-methyltetrazol-5-yl)sulfanylpyrimidine
CID 60726872
[4-(1-methyltetrazol-5-yl)sulfanylpyrimidin-2-yl]hydrazine
CID 80922093
2-pyridin-2-ylsulfanylpyrimidine-4-carbonitrile
CID 107551327
2-(2-hydroxyphenyl)sulfanylpyrimidine-4-carbonitrile
CID 107552913
2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrimidine-4-carbonitrile
CID 107551522
2-(1H-1,2,4-triazol-5-ylsulfanyl)pyrimidine-4-carbonitrile
CID 107551304
2-chloro-4-(1-methyltetrazol-5-yl)sulfanylbenzonitrile
CID 62946839
2-bromo-4-(1-methyltetrazol-5-yl)sulfanylbenzonitrile
CID 107279701
4-methyl-2-[3-(1-methyltetrazol-5-yl)sulfanylpropylsulfanyl]pyrimidine
CID 13138450

Frequently Asked Questions

What is the IUPAC name of 2-(1-methyltetrazol-5-yl)sulfanylpyrimidine-4-carbonitrile?
The IUPAC name of 2-(1-methyltetrazol-5-yl)sulfanylpyrimidine-4-carbonitrile (CID 107551300) is 2-(1-methyltetrazol-5-yl)sulfanylpyrimidine-4-carbonitrile.
What is the SMILES notation for 2-(1-methyltetrazol-5-yl)sulfanylpyrimidine-4-carbonitrile?
The canonical SMILES for 2-(1-methyltetrazol-5-yl)sulfanylpyrimidine-4-carbonitrile is Cn1nnnc1Sc1nccc(C#N)n1.
What is the InChIKey of 2-(1-methyltetrazol-5-yl)sulfanylpyrimidine-4-carbonitrile?
The InChIKey is AEZUZMYATMYPJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5N7S/c1-14-7(11-12-13-14)15-6-9-3-2-5(4-8)10-6/h2-3H,1H3.
What are the key properties of 2-(1-methyltetrazol-5-yl)sulfanylpyrimidine-4-carbonitrile?
2-(1-methyltetrazol-5-yl)sulfanylpyrimidine-4-carbonitrile has a molecular weight of 219.23 g/mol, XLogP of 0.02, 2 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)sulfanylpyrimidine-4-carbonitrile is sourced from PubChem (CID 107551300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).