5-N,6-N-diphenyltetrazine-5,6-diamine

C14H12N6 — CID 166773388

IUPAC5-N,6-N-diphenyltetrazine-5,6-diamine
SMILESc1ccc(Nc2nnnnc2Nc2ccccc2)cc1
InChIInChI=1S/C14H12N6/c1-3-7-11(8-4-1)15-13-14(18-20-19-17-13)16-12-9-5-2-6-10-12/h1-10H,(H,15,17,20)(H,16,18,19)
InChIKeyRLSCUYOJBCFGDN-UHFFFAOYSA-N
MW264.29 g/mol
LogP2.75
Rot. Bonds4

About 5-N,6-N-diphenyltetrazine-5,6-diamine

5-N,6-N-diphenyltetrazine-5,6-diamine (PubChem CID 166773388) has the molecular formula C14H12N6 and a molecular weight of 264.29 g/mol. Its IUPAC name is 5-N,6-N-diphenyltetrazine-5,6-diamine.

Molecular Properties

Compound Name5-N,6-N-diphenyltetrazine-5,6-diamine
PubChem CID166773388
Molecular FormulaC14H12N6
Molecular Weight264.29 g/mol
Exact Mass264.11
IUPAC Name5-N,6-N-diphenyltetrazine-5,6-diamine
SMILESc1ccc(Nc2nnnnc2Nc2ccccc2)cc1
InChIInChI=1S/C14H12N6/c1-3-7-11(8-4-1)15-13-14(18-20-19-17-13)16-12-9-5-2-6-10-12/h1-10H,(H,15,17,20)(H,16,18,19)
InChIKeyRLSCUYOJBCFGDN-UHFFFAOYSA-N
XLogP2.75
TPSA75.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.29
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-N,6-N-diphenyltetrazine-5,6-diamine?
The IUPAC name of 5-N,6-N-diphenyltetrazine-5,6-diamine (CID 166773388) is 5-N,6-N-diphenyltetrazine-5,6-diamine.
What is the SMILES notation for 5-N,6-N-diphenyltetrazine-5,6-diamine?
The canonical SMILES for 5-N,6-N-diphenyltetrazine-5,6-diamine is c1ccc(Nc2nnnnc2Nc2ccccc2)cc1.
What is the InChIKey of 5-N,6-N-diphenyltetrazine-5,6-diamine?
The InChIKey is RLSCUYOJBCFGDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N6/c1-3-7-11(8-4-1)15-13-14(18-20-19-17-13)16-12-9-5-2-6-10-12/h1-10H,(H,15,17,20)(H,16,18,19).
What are the key properties of 5-N,6-N-diphenyltetrazine-5,6-diamine?
5-N,6-N-diphenyltetrazine-5,6-diamine has a molecular weight of 264.29 g/mol, XLogP of 2.75, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N,6-N-diphenyltetrazine-5,6-diamine is sourced from PubChem (CID 166773388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).