5-(1,2,3,4-tetrahydronaphthalen-1-yl)tetrazine

C12H12N4 — CID 66821619

IUPAC5-(1,2,3,4-tetrahydronaphthalen-1-yl)tetrazine
SMILESc1ccc2c(c1)CCCC2c1cnnnn1
InChIInChI=1S/C12H12N4/c1-2-6-10-9(4-1)5-3-7-11(10)12-8-13-15-16-14-12/h1-2,4,6,8,11H,3,5,7H2
InChIKeyKTHYBUXSFQTQQE-UHFFFAOYSA-N
MW212.26 g/mol
LogP1.73
Rot. Bonds1

About 5-(1,2,3,4-tetrahydronaphthalen-1-yl)tetrazine

5-(1,2,3,4-tetrahydronaphthalen-1-yl)tetrazine (PubChem CID 66821619) has the molecular formula C12H12N4 and a molecular weight of 212.26 g/mol. Its IUPAC name is 5-(1,2,3,4-tetrahydronaphthalen-1-yl)tetrazine.

Molecular Properties

Compound Name5-(1,2,3,4-tetrahydronaphthalen-1-yl)tetrazine
PubChem CID66821619
Molecular FormulaC12H12N4
Molecular Weight212.26 g/mol
Exact Mass212.11
IUPAC Name5-(1,2,3,4-tetrahydronaphthalen-1-yl)tetrazine
SMILESc1ccc2c(c1)CCCC2c1cnnnn1
InChIInChI=1S/C12H12N4/c1-2-6-10-9(4-1)5-3-7-11(10)12-8-13-15-16-14-12/h1-2,4,6,8,11H,3,5,7H2
InChIKeyKTHYBUXSFQTQQE-UHFFFAOYSA-N
XLogP1.73
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.26
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1,2,3,4-tetrahydronaphthalen-1-yl)thiadiazole
CID 151034122
5-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-2H-tetrazole
CID 129369108
4-methyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-triazole
CID 115395374
4-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-2-amine
CID 70982416
ethane;2-(1,2,3,4-tetrahydronaphthalen-1-yl)-4,5-dihydro-1H-imidazole
CID 91000724
4-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]phenol
CID 93476534
1-(4-methylphenyl)-1,2,3,4-tetrahydronaphthalene
CID 159713815
5-chloro-3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-thiadiazole
CID 65266685
4,6-dichloro-5-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidine
CID 55217602
1-(2-ethylphenyl)-1,2,3,4-tetrahydronaphthalene
CID 23310853
(5R,6R)-5,6-dibromo-6,7,8,9-tetrahydro-5H-benzo[7]annulene
CID 10881240
4-(1,2,3,4-tetrahydronaphthalen-1-yl)benzene-1,3-diamine
CID 19849908

Frequently Asked Questions

What is the IUPAC name of 5-(1,2,3,4-tetrahydronaphthalen-1-yl)tetrazine?
The IUPAC name of 5-(1,2,3,4-tetrahydronaphthalen-1-yl)tetrazine (CID 66821619) is 5-(1,2,3,4-tetrahydronaphthalen-1-yl)tetrazine.
What is the SMILES notation for 5-(1,2,3,4-tetrahydronaphthalen-1-yl)tetrazine?
The canonical SMILES for 5-(1,2,3,4-tetrahydronaphthalen-1-yl)tetrazine is c1ccc2c(c1)CCCC2c1cnnnn1.
What is the InChIKey of 5-(1,2,3,4-tetrahydronaphthalen-1-yl)tetrazine?
The InChIKey is KTHYBUXSFQTQQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4/c1-2-6-10-9(4-1)5-3-7-11(10)12-8-13-15-16-14-12/h1-2,4,6,8,11H,3,5,7H2.
What are the key properties of 5-(1,2,3,4-tetrahydronaphthalen-1-yl)tetrazine?
5-(1,2,3,4-tetrahydronaphthalen-1-yl)tetrazine has a molecular weight of 212.26 g/mol, XLogP of 1.73, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,2,3,4-tetrahydronaphthalen-1-yl)tetrazine is sourced from PubChem (CID 66821619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).