5-[4-(tetrazin-5-yl)phenyl]tetrazine

C10H6N8 — CID 170611296

IUPAC5-[4-(tetrazin-5-yl)phenyl]tetrazine
SMILESc1cc(-c2cnnnn2)ccc1-c1cnnnn1
InChIInChI=1S/C10H6N8/c1-2-8(10-6-12-16-18-14-10)4-3-7(1)9-5-11-15-17-13-9/h1-6H
InChIKeyIQNNHMXTYOMGEC-UHFFFAOYSA-N
MW238.21 g/mol
LogP0.18
Rot. Bonds2

About 5-[4-(tetrazin-5-yl)phenyl]tetrazine

5-[4-(tetrazin-5-yl)phenyl]tetrazine (PubChem CID 170611296) has the molecular formula C10H6N8 and a molecular weight of 238.21 g/mol. Its IUPAC name is 5-[4-(tetrazin-5-yl)phenyl]tetrazine.

Molecular Properties

Compound Name5-[4-(tetrazin-5-yl)phenyl]tetrazine
PubChem CID170611296
Molecular FormulaC10H6N8
Molecular Weight238.21 g/mol
Exact Mass238.07
IUPAC Name5-[4-(tetrazin-5-yl)phenyl]tetrazine
SMILESc1cc(-c2cnnnn2)ccc1-c1cnnnn1
InChIInChI=1S/C10H6N8/c1-2-8(10-6-12-16-18-14-10)4-3-7(1)9-5-11-15-17-13-9/h1-6H
InChIKeyIQNNHMXTYOMGEC-UHFFFAOYSA-N
XLogP0.18
TPSA103.12 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.21
LogP ≤ 50.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

5-(4-bromophenyl)tetrazine
CID 163253047
N-benzyltetrazin-5-amine
CID 91284101
3-methyl-6-(4-methylphenyl)-1,2,4-triazine
CID 134558239
5-[4-(4-methylphenyl)phenyl]-3-methylsulfanyl-1,2,4-triazine
CID 11022739
3,5-bis(4-fluorophenyl)pyridazine
CID 11277172
6-(4-fluorophenyl)-1,2,4-triazin-3-amine
CID 67224067
5-(4-fluorophenyl)-N-(pyridin-4-ylmethyl)-1,2,4-triazin-3-amine
CID 25275557
3,5-bis(4-ethoxyphenyl)-1,2,4-triazine
CID 154146425
4-[6-(4-aminophenyl)pyridazin-3-yl]aniline
CID 139699068
3,6-bis(4-chlorophenyl)pyridazine
CID 11197367
5-phenyl-3-[6-[6-(5-phenyl-1,2,4-triazin-3-yl)-2-pyridinyl]-2-pyridinyl]-1,2,4-triazine
CID 146551238
5-(4-methoxyphenyl)-1,2,4-triazine-3-carbaldehyde
CID 105468347

Frequently Asked Questions

What is the IUPAC name of 5-[4-(tetrazin-5-yl)phenyl]tetrazine?
The IUPAC name of 5-[4-(tetrazin-5-yl)phenyl]tetrazine (CID 170611296) is 5-[4-(tetrazin-5-yl)phenyl]tetrazine.
What is the SMILES notation for 5-[4-(tetrazin-5-yl)phenyl]tetrazine?
The canonical SMILES for 5-[4-(tetrazin-5-yl)phenyl]tetrazine is c1cc(-c2cnnnn2)ccc1-c1cnnnn1.
What is the InChIKey of 5-[4-(tetrazin-5-yl)phenyl]tetrazine?
The InChIKey is IQNNHMXTYOMGEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6N8/c1-2-8(10-6-12-16-18-14-10)4-3-7(1)9-5-11-15-17-13-9/h1-6H.
What are the key properties of 5-[4-(tetrazin-5-yl)phenyl]tetrazine?
5-[4-(tetrazin-5-yl)phenyl]tetrazine has a molecular weight of 238.21 g/mol, XLogP of 0.18, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(tetrazin-5-yl)phenyl]tetrazine is sourced from PubChem (CID 170611296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).