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

C7H9ClN8S — CID 80888245

IUPAC4-chloro-N-ethyl-6-(1-methyltetrazol-5-yl)sulfanyl-1,3,5-triazin-2-amine
SMILESCCNc1nc(Cl)nc(Sc2nnnn2C)n1
InChIInChI=1S/C7H9ClN8S/c1-3-9-5-10-4(8)11-6(12-5)17-7-13-14-15-16(7)2/h3H2,1-2H3,(H,9,10,11,12)
InChIKeyCQPRVHVLOTYZJC-UHFFFAOYSA-N
MW272.73 g/mol
LogP0.63
Rot. Bonds4

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

4-chloro-N-ethyl-6-(1-methyltetrazol-5-yl)sulfanyl-1,3,5-triazin-2-amine (PubChem CID 80888245) has the molecular formula C7H9ClN8S and a molecular weight of 272.73 g/mol. Its IUPAC name is 4-chloro-N-ethyl-6-(1-methyltetrazol-5-yl)sulfanyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N-ethyl-6-(1-methyltetrazol-5-yl)sulfanyl-1,3,5-triazin-2-amine
PubChem CID80888245
Molecular FormulaC7H9ClN8S
Molecular Weight272.73 g/mol
Exact Mass272.04
IUPAC Name4-chloro-N-ethyl-6-(1-methyltetrazol-5-yl)sulfanyl-1,3,5-triazin-2-amine
SMILESCCNc1nc(Cl)nc(Sc2nnnn2C)n1
InChIInChI=1S/C7H9ClN8S/c1-3-9-5-10-4(8)11-6(12-5)17-7-13-14-15-16(7)2/h3H2,1-2H3,(H,9,10,11,12)
InChIKeyCQPRVHVLOTYZJC-UHFFFAOYSA-N
XLogP0.63
TPSA94.30 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.73
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 4-chloro-N-ethyl-6-(1-methyltetrazol-5-yl)sulfanyl-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

N-ethyl-4-methoxy-6-(1-methyltetrazol-5-yl)sulfanyl-1,3,5-triazin-2-amine
CID 80887079
4-chloro-6-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-ethyl-1,3,5-triazin-2-amine
CID 80869196
2-chloro-4-(1-methyltetrazol-5-yl)sulfanyl-6-propan-2-yloxy-1,3,5-triazine
CID 55125472
N-ethyl-4-(1-methyltetrazol-5-yl)sulfanylquinazolin-2-amine
CID 80887083
6-chloro-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine
CID 19377260
6-chloro-2-N,4-N-diethyl-(1,3,5-15N3)1,3,5-triazine-2,4-diamine
CID 91927796
6-chloro-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine
CID 5216
4-chloro-N-ethyl-6-(1,3-oxazol-2-ylsulfanyl)-1,3,5-triazin-2-amine
CID 106928226
4-chloro-N-ethyl-6-(2-methylphenyl)sulfanyl-1,3,5-triazin-2-amine
CID 80886104
4-chloro-N-ethyl-6-(1,2,4-thiadiazol-5-ylsulfanyl)-1,3,5-triazin-2-amine
CID 80894504
N-ethyl-6-(1-methyltetrazol-5-yl)sulfanylpyrazin-2-amine
CID 78990345
butane;6-chloro-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine
CID 87719227

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-ethyl-6-(1-methyltetrazol-5-yl)sulfanyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N-ethyl-6-(1-methyltetrazol-5-yl)sulfanyl-1,3,5-triazin-2-amine (CID 80888245) is 4-chloro-N-ethyl-6-(1-methyltetrazol-5-yl)sulfanyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N-ethyl-6-(1-methyltetrazol-5-yl)sulfanyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N-ethyl-6-(1-methyltetrazol-5-yl)sulfanyl-1,3,5-triazin-2-amine is CCNc1nc(Cl)nc(Sc2nnnn2C)n1.
What is the InChIKey of 4-chloro-N-ethyl-6-(1-methyltetrazol-5-yl)sulfanyl-1,3,5-triazin-2-amine?
The InChIKey is CQPRVHVLOTYZJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClN8S/c1-3-9-5-10-4(8)11-6(12-5)17-7-13-14-15-16(7)2/h3H2,1-2H3,(H,9,10,11,12).
What are the key properties of 4-chloro-N-ethyl-6-(1-methyltetrazol-5-yl)sulfanyl-1,3,5-triazin-2-amine?
4-chloro-N-ethyl-6-(1-methyltetrazol-5-yl)sulfanyl-1,3,5-triazin-2-amine has a molecular weight of 272.73 g/mol, XLogP of 0.63, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-ethyl-6-(1-methyltetrazol-5-yl)sulfanyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 80888245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).