N,6-diphenyl-1,2,4,5-tetrazin-3-amine

C14H11N5 — CID 134962975

IUPACN,6-diphenyl-1,2,4,5-tetrazin-3-amine
SMILESc1ccc(Nc2nnc(-c3ccccc3)nn2)cc1
InChIInChI=1S/C14H11N5/c1-3-7-11(8-4-1)13-16-18-14(19-17-13)15-12-9-5-2-6-10-12/h1-10H,(H,15,18,19)
InChIKeyZFPNJYGMNKZQTN-UHFFFAOYSA-N
MW249.28 g/mol
LogP2.68
Rot. Bonds3

About N,6-diphenyl-1,2,4,5-tetrazin-3-amine

N,6-diphenyl-1,2,4,5-tetrazin-3-amine (PubChem CID 134962975) has the molecular formula C14H11N5 and a molecular weight of 249.28 g/mol. Its IUPAC name is N,6-diphenyl-1,2,4,5-tetrazin-3-amine.

Molecular Properties

Compound NameN,6-diphenyl-1,2,4,5-tetrazin-3-amine
PubChem CID134962975
Molecular FormulaC14H11N5
Molecular Weight249.28 g/mol
Exact Mass249.10
IUPAC NameN,6-diphenyl-1,2,4,5-tetrazin-3-amine
SMILESc1ccc(Nc2nnc(-c3ccccc3)nn2)cc1
InChIInChI=1S/C14H11N5/c1-3-7-11(8-4-1)13-16-18-14(19-17-13)15-12-9-5-2-6-10-12/h1-10H,(H,15,18,19)
InChIKeyZFPNJYGMNKZQTN-UHFFFAOYSA-N
XLogP2.68
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.28
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,6-diphenyl-1,2,4,5-tetrazin-3-amine?
The IUPAC name of N,6-diphenyl-1,2,4,5-tetrazin-3-amine (CID 134962975) is N,6-diphenyl-1,2,4,5-tetrazin-3-amine.
What is the SMILES notation for N,6-diphenyl-1,2,4,5-tetrazin-3-amine?
The canonical SMILES for N,6-diphenyl-1,2,4,5-tetrazin-3-amine is c1ccc(Nc2nnc(-c3ccccc3)nn2)cc1.
What is the InChIKey of N,6-diphenyl-1,2,4,5-tetrazin-3-amine?
The InChIKey is ZFPNJYGMNKZQTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N5/c1-3-7-11(8-4-1)13-16-18-14(19-17-13)15-12-9-5-2-6-10-12/h1-10H,(H,15,18,19).
What are the key properties of N,6-diphenyl-1,2,4,5-tetrazin-3-amine?
N,6-diphenyl-1,2,4,5-tetrazin-3-amine has a molecular weight of 249.28 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,6-diphenyl-1,2,4,5-tetrazin-3-amine is sourced from PubChem (CID 134962975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).