1,4-bis(2H-tetrazol-5-yl)-5,6,7,8,9,10-hexahydrocycloocta[d]pyridazine

C12H14N10 — CID 10614008

IUPAC1,4-bis(2H-tetrazol-5-yl)-5,6,7,8,9,10-hexahydrocycloocta[d]pyridazine
SMILESC1CCCc2c(-c3nn[nH]n3)nnc(-c3nn[nH]n3)c2CC1
InChIInChI=1S/C12H14N10/c1-2-4-6-8-7(5-3-1)9(11-15-19-20-16-11)13-14-10(8)12-17-21-22-18-12/h1-6H2,(H,15,16,19,20)(H,17,18,21,22)
InChIKeyUQPJOHZODCVEFY-UHFFFAOYSA-N
MW298.31 g/mol
LogP0.50
Rot. Bonds2

About 1,4-bis(2H-tetrazol-5-yl)-5,6,7,8,9,10-hexahydrocycloocta[d]pyridazine

1,4-bis(2H-tetrazol-5-yl)-5,6,7,8,9,10-hexahydrocycloocta[d]pyridazine (PubChem CID 10614008) has the molecular formula C12H14N10 and a molecular weight of 298.31 g/mol. Its IUPAC name is 1,4-bis(2H-tetrazol-5-yl)-5,6,7,8,9,10-hexahydrocycloocta[d]pyridazine.

Molecular Properties

Compound Name1,4-bis(2H-tetrazol-5-yl)-5,6,7,8,9,10-hexahydrocycloocta[d]pyridazine
PubChem CID10614008
Molecular FormulaC12H14N10
Molecular Weight298.31 g/mol
Exact Mass298.14
IUPAC Name1,4-bis(2H-tetrazol-5-yl)-5,6,7,8,9,10-hexahydrocycloocta[d]pyridazine
SMILESC1CCCc2c(-c3nn[nH]n3)nnc(-c3nn[nH]n3)c2CC1
InChIInChI=1S/C12H14N10/c1-2-4-6-8-7(5-3-1)9(11-15-19-20-16-11)13-14-10(8)12-17-21-22-18-12/h1-6H2,(H,15,16,19,20)(H,17,18,21,22)
InChIKeyUQPJOHZODCVEFY-UHFFFAOYSA-N
XLogP0.50
TPSA134.70 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.31
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1,4-bis(2H-tetrazol-5-yl)-5,6,7,8,9,10-hexahydrocycloocta[d]pyridazine?
The IUPAC name of 1,4-bis(2H-tetrazol-5-yl)-5,6,7,8,9,10-hexahydrocycloocta[d]pyridazine (CID 10614008) is 1,4-bis(2H-tetrazol-5-yl)-5,6,7,8,9,10-hexahydrocycloocta[d]pyridazine.
What is the SMILES notation for 1,4-bis(2H-tetrazol-5-yl)-5,6,7,8,9,10-hexahydrocycloocta[d]pyridazine?
The canonical SMILES for 1,4-bis(2H-tetrazol-5-yl)-5,6,7,8,9,10-hexahydrocycloocta[d]pyridazine is C1CCCc2c(-c3nn[nH]n3)nnc(-c3nn[nH]n3)c2CC1.
What is the InChIKey of 1,4-bis(2H-tetrazol-5-yl)-5,6,7,8,9,10-hexahydrocycloocta[d]pyridazine?
The InChIKey is UQPJOHZODCVEFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N10/c1-2-4-6-8-7(5-3-1)9(11-15-19-20-16-11)13-14-10(8)12-17-21-22-18-12/h1-6H2,(H,15,16,19,20)(H,17,18,21,22).
What are the key properties of 1,4-bis(2H-tetrazol-5-yl)-5,6,7,8,9,10-hexahydrocycloocta[d]pyridazine?
1,4-bis(2H-tetrazol-5-yl)-5,6,7,8,9,10-hexahydrocycloocta[d]pyridazine has a molecular weight of 298.31 g/mol, XLogP of 0.50, 2 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis(2H-tetrazol-5-yl)-5,6,7,8,9,10-hexahydrocycloocta[d]pyridazine is sourced from PubChem (CID 10614008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).