4-chloro-6-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-ethyl-1,3,5-triazin-2-amine

C11H15ClN8S — CID 80869196

IUPAC4-chloro-6-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-ethyl-1,3,5-triazin-2-amine
SMILESCCNc1nc(Cl)nc(Sc2nnnn2C2CCCC2)n1
InChIInChI=1S/C11H15ClN8S/c1-2-13-9-14-8(12)15-10(16-9)21-11-17-18-19-20(11)7-5-3-4-6-7/h7H,2-6H2,1H3,(H,13,14,15,16)
InChIKeyZFDFSDIXKNFFBW-UHFFFAOYSA-N
MW326.82 g/mol
LogP2.21
Rot. Bonds5

About 4-chloro-6-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-ethyl-1,3,5-triazin-2-amine

4-chloro-6-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-ethyl-1,3,5-triazin-2-amine (PubChem CID 80869196) has the molecular formula C11H15ClN8S and a molecular weight of 326.82 g/mol. Its IUPAC name is 4-chloro-6-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-ethyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-6-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-ethyl-1,3,5-triazin-2-amine
PubChem CID80869196
Molecular FormulaC11H15ClN8S
Molecular Weight326.82 g/mol
Exact Mass326.08
IUPAC Name4-chloro-6-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-ethyl-1,3,5-triazin-2-amine
SMILESCCNc1nc(Cl)nc(Sc2nnnn2C2CCCC2)n1
InChIInChI=1S/C11H15ClN8S/c1-2-13-9-14-8(12)15-10(16-9)21-11-17-18-19-20(11)7-5-3-4-6-7/h7H,2-6H2,1H3,(H,13,14,15,16)
InChIKeyZFDFSDIXKNFFBW-UHFFFAOYSA-N
XLogP2.21
TPSA94.30 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.82
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 4-chloro-6-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-ethyl-1,3,5-triazin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chloro-N-ethyl-6-(1-methyltetrazol-5-yl)sulfanyl-1,3,5-triazin-2-amine
CID 80888245
4-chloro-6-cyclopentylsulfanyl-N-ethyl-1,3,5-triazin-2-amine
CID 80890101
4-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-propylpyrimidin-2-amine
CID 80869111
4-[(1-cyclopentyltetrazol-5-yl)sulfanylmethyl]-N-ethylthiadiazol-5-amine
CID 62188753
4-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-ethylbutan-1-amine
CID 62576620
4-chloro-6-(1-cyclopentyltetrazol-5-yl)sulfanyl-5-propylpyrimidine
CID 63733312
N-[2-(1-cyclopentyltetrazol-5-yl)sulfanylethyl]-2-methylpropan-2-amine
CID 55071080
2-(1-cyclopentyltetrazol-5-yl)sulfanyl-6-methylpyrimidine-4-carbonitrile
CID 107551334
2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-ethylcyclohexan-1-amine
CID 64649515
N-ethyl-4-methoxy-6-(1-methyltetrazol-5-yl)sulfanyl-1,3,5-triazin-2-amine
CID 80887079
6-(1-cyclopentyltetrazol-5-yl)sulfanylpyrimidine-2,4-diamine
CID 80882968
5-[(1-cyclopentyltetrazol-5-yl)sulfanylmethyl]-N-ethylpyrazin-2-amine
CID 103059756

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-ethyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-6-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-ethyl-1,3,5-triazin-2-amine (CID 80869196) is 4-chloro-6-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-ethyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-6-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-ethyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-6-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-ethyl-1,3,5-triazin-2-amine is CCNc1nc(Cl)nc(Sc2nnnn2C2CCCC2)n1.
What is the InChIKey of 4-chloro-6-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-ethyl-1,3,5-triazin-2-amine?
The InChIKey is ZFDFSDIXKNFFBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN8S/c1-2-13-9-14-8(12)15-10(16-9)21-11-17-18-19-20(11)7-5-3-4-6-7/h7H,2-6H2,1H3,(H,13,14,15,16).
What are the key properties of 4-chloro-6-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-ethyl-1,3,5-triazin-2-amine?
4-chloro-6-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-ethyl-1,3,5-triazin-2-amine has a molecular weight of 326.82 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-ethyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 80869196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).