3-phenyl-5-(1-phenyltetrazol-5-yl)sulfanyl-1,2,4-triazol-4-amine

C15H12N8S — CID 510109

IUPAC3-phenyl-5-(1-phenyltetrazol-5-yl)sulfanyl-1,2,4-triazol-4-amine
SMILESNn1c(Sc2nnnn2-c2ccccc2)nnc1-c1ccccc1
InChIInChI=1S/C15H12N8S/c16-22-13(11-7-3-1-4-8-11)17-18-14(22)24-15-19-20-21-23(15)12-9-5-2-6-10-12/h1-10H,16H2
InChIKeyLDJCYHIGFWIMRA-UHFFFAOYSA-N
MW336.38 g/mol
LogP1.79
Rot. Bonds4

About 3-phenyl-5-(1-phenyltetrazol-5-yl)sulfanyl-1,2,4-triazol-4-amine

3-phenyl-5-(1-phenyltetrazol-5-yl)sulfanyl-1,2,4-triazol-4-amine (PubChem CID 510109) has the molecular formula C15H12N8S and a molecular weight of 336.38 g/mol. Its IUPAC name is 3-phenyl-5-(1-phenyltetrazol-5-yl)sulfanyl-1,2,4-triazol-4-amine.

Molecular Properties

Compound Name3-phenyl-5-(1-phenyltetrazol-5-yl)sulfanyl-1,2,4-triazol-4-amine
PubChem CID510109
Molecular FormulaC15H12N8S
Molecular Weight336.38 g/mol
Exact Mass336.09
IUPAC Name3-phenyl-5-(1-phenyltetrazol-5-yl)sulfanyl-1,2,4-triazol-4-amine
SMILESNn1c(Sc2nnnn2-c2ccccc2)nnc1-c1ccccc1
InChIInChI=1S/C15H12N8S/c16-22-13(11-7-3-1-4-8-11)17-18-14(22)24-15-19-20-21-23(15)12-9-5-2-6-10-12/h1-10H,16H2
InChIKeyLDJCYHIGFWIMRA-UHFFFAOYSA-N
XLogP1.79
TPSA100.33 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.38
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-5-(1-phenyltetrazol-5-yl)sulfanyl-1,2,4-triazol-4-amine?
The IUPAC name of 3-phenyl-5-(1-phenyltetrazol-5-yl)sulfanyl-1,2,4-triazol-4-amine (CID 510109) is 3-phenyl-5-(1-phenyltetrazol-5-yl)sulfanyl-1,2,4-triazol-4-amine.
What is the SMILES notation for 3-phenyl-5-(1-phenyltetrazol-5-yl)sulfanyl-1,2,4-triazol-4-amine?
The canonical SMILES for 3-phenyl-5-(1-phenyltetrazol-5-yl)sulfanyl-1,2,4-triazol-4-amine is Nn1c(Sc2nnnn2-c2ccccc2)nnc1-c1ccccc1.
What is the InChIKey of 3-phenyl-5-(1-phenyltetrazol-5-yl)sulfanyl-1,2,4-triazol-4-amine?
The InChIKey is LDJCYHIGFWIMRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N8S/c16-22-13(11-7-3-1-4-8-11)17-18-14(22)24-15-19-20-21-23(15)12-9-5-2-6-10-12/h1-10H,16H2.
What are the key properties of 3-phenyl-5-(1-phenyltetrazol-5-yl)sulfanyl-1,2,4-triazol-4-amine?
3-phenyl-5-(1-phenyltetrazol-5-yl)sulfanyl-1,2,4-triazol-4-amine has a molecular weight of 336.38 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-5-(1-phenyltetrazol-5-yl)sulfanyl-1,2,4-triazol-4-amine is sourced from PubChem (CID 510109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).