5-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)tetrazine

C12H18N4 — CID 174787379

IUPAC5-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)tetrazine
SMILESc1nnnnc1C1CCCC2CCCCC21
InChIInChI=1S/C12H18N4/c1-2-6-10-9(4-1)5-3-7-11(10)12-8-13-15-16-14-12/h8-11H,1-7H2
InChIKeyNNUCDPIJZKLOPW-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.34
Rot. Bonds1

About 5-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)tetrazine

5-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)tetrazine (PubChem CID 174787379) has the molecular formula C12H18N4 and a molecular weight of 218.30 g/mol. Its IUPAC name is 5-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)tetrazine.

Molecular Properties

Compound Name5-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)tetrazine
PubChem CID174787379
Molecular FormulaC12H18N4
Molecular Weight218.30 g/mol
Exact Mass218.15
IUPAC Name5-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)tetrazine
SMILESc1nnnnc1C1CCCC2CCCCC21
InChIInChI=1S/C12H18N4/c1-2-6-10-9(4-1)5-3-7-11(10)12-8-13-15-16-14-12/h8-11H,1-7H2
InChIKeyNNUCDPIJZKLOPW-UHFFFAOYSA-N
XLogP2.34
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)tetrazine?
The IUPAC name of 5-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)tetrazine (CID 174787379) is 5-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)tetrazine.
What is the SMILES notation for 5-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)tetrazine?
The canonical SMILES for 5-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)tetrazine is c1nnnnc1C1CCCC2CCCCC21.
What is the InChIKey of 5-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)tetrazine?
The InChIKey is NNUCDPIJZKLOPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4/c1-2-6-10-9(4-1)5-3-7-11(10)12-8-13-15-16-14-12/h8-11H,1-7H2.
What are the key properties of 5-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)tetrazine?
5-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)tetrazine has a molecular weight of 218.30 g/mol, XLogP of 2.34, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)tetrazine is sourced from PubChem (CID 174787379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).