2-(1-cyclopentyltetrazol-5-yl)sulfanyl-6-methylpyrimidine-4-carbonitrile

C12H13N7S — CID 107551334

IUPAC2-(1-cyclopentyltetrazol-5-yl)sulfanyl-6-methylpyrimidine-4-carbonitrile
SMILESCc1cc(C#N)nc(Sc2nnnn2C2CCCC2)n1
InChIInChI=1S/C12H13N7S/c1-8-6-9(7-13)15-11(14-8)20-12-16-17-18-19(12)10-4-2-3-5-10/h6,10H,2-5H2,1H3
InChIKeyZTSRIUKQCMMXJZ-UHFFFAOYSA-N
MW287.35 g/mol
LogP1.91
Rot. Bonds3

About 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-6-methylpyrimidine-4-carbonitrile

2-(1-cyclopentyltetrazol-5-yl)sulfanyl-6-methylpyrimidine-4-carbonitrile (PubChem CID 107551334) has the molecular formula C12H13N7S and a molecular weight of 287.35 g/mol. Its IUPAC name is 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-6-methylpyrimidine-4-carbonitrile.

Molecular Properties

Compound Name2-(1-cyclopentyltetrazol-5-yl)sulfanyl-6-methylpyrimidine-4-carbonitrile
PubChem CID107551334
Molecular FormulaC12H13N7S
Molecular Weight287.35 g/mol
Exact Mass287.10
IUPAC Name2-(1-cyclopentyltetrazol-5-yl)sulfanyl-6-methylpyrimidine-4-carbonitrile
SMILESCc1cc(C#N)nc(Sc2nnnn2C2CCCC2)n1
InChIInChI=1S/C12H13N7S/c1-8-6-9(7-13)15-11(14-8)20-12-16-17-18-19(12)10-4-2-3-5-10/h6,10H,2-5H2,1H3
InChIKeyZTSRIUKQCMMXJZ-UHFFFAOYSA-N
XLogP1.91
TPSA93.17 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.35
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

2-(1-cyclopropyltetrazol-5-yl)sulfanyl-6-methylpyridine-4-carbonitrile
CID 114769426
6-(1-cyclohexyltetrazol-5-yl)sulfanylpyridine-2-carbonitrile
CID 133391855
7-(1-cyclopentyltetrazol-5-yl)sulfanyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 9461574
6-(1-cyclopentyltetrazol-5-yl)sulfanylpyrimidine-2,4-diamine
CID 80882968
4-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-methylbenzonitrile
CID 81282782
6-(1-cyclopentyltetrazol-5-yl)sulfanylpyrimidin-4-amine
CID 80882455
5-(1-cyclopentyltetrazol-5-yl)sulfanyl-2-methylaniline
CID 55132300
4-chloro-6-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-ethyl-1,3,5-triazin-2-amine
CID 80869196
[2-(1-cyclopropyltetrazol-5-yl)sulfanyl-6-methyl-4-pyridinyl]methanamine
CID 114769862
(2R)-4-(1-cyclopentyltetrazol-5-yl)sulfanyl-2-(4-methyl-1,3-thiazol-2-yl)-3-oxobutanenitrile
CID 9208010
5-(1-cyclohexyltetrazol-5-yl)sulfanyl-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 2917256
4-(1-cyclopropyltetrazol-5-yl)sulfanyl-6-methyl-N-propylpyrimidin-2-amine
CID 80893017

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-6-methylpyrimidine-4-carbonitrile?
The IUPAC name of 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-6-methylpyrimidine-4-carbonitrile (CID 107551334) is 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-6-methylpyrimidine-4-carbonitrile.
What is the SMILES notation for 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-6-methylpyrimidine-4-carbonitrile?
The canonical SMILES for 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-6-methylpyrimidine-4-carbonitrile is Cc1cc(C#N)nc(Sc2nnnn2C2CCCC2)n1.
What is the InChIKey of 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-6-methylpyrimidine-4-carbonitrile?
The InChIKey is ZTSRIUKQCMMXJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N7S/c1-8-6-9(7-13)15-11(14-8)20-12-16-17-18-19(12)10-4-2-3-5-10/h6,10H,2-5H2,1H3.
What are the key properties of 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-6-methylpyrimidine-4-carbonitrile?
2-(1-cyclopentyltetrazol-5-yl)sulfanyl-6-methylpyrimidine-4-carbonitrile has a molecular weight of 287.35 g/mol, XLogP of 1.91, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-6-methylpyrimidine-4-carbonitrile is sourced from PubChem (CID 107551334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).