6-[4-(4-ethylphenyl)-3,6-dihydro-2H-pyridin-1-yl]tetrazolo[1,5-b]pyridazine

C17H18N6 — CID 133444379

IUPAC6-[4-(4-ethylphenyl)-3,6-dihydro-2H-pyridin-1-yl]tetrazolo[1,5-b]pyridazine
SMILESCCc1ccc(C2=CCN(c3ccc4nnnn4n3)CC2)cc1
InChIInChI=1S/C17H18N6/c1-2-13-3-5-14(6-4-13)15-9-11-22(12-10-15)17-8-7-16-18-20-21-23(16)19-17/h3-9H,2,10-12H2,1H3
InChIKeyFDCGUCPPRIHAFS-UHFFFAOYSA-N
MW306.37 g/mol
LogP2.38
Rot. Bonds3

About 6-[4-(4-ethylphenyl)-3,6-dihydro-2H-pyridin-1-yl]tetrazolo[1,5-b]pyridazine

6-[4-(4-ethylphenyl)-3,6-dihydro-2H-pyridin-1-yl]tetrazolo[1,5-b]pyridazine (PubChem CID 133444379) has the molecular formula C17H18N6 and a molecular weight of 306.37 g/mol. Its IUPAC name is 6-[4-(4-ethylphenyl)-3,6-dihydro-2H-pyridin-1-yl]tetrazolo[1,5-b]pyridazine.

Molecular Properties

Compound Name6-[4-(4-ethylphenyl)-3,6-dihydro-2H-pyridin-1-yl]tetrazolo[1,5-b]pyridazine
PubChem CID133444379
Molecular FormulaC17H18N6
Molecular Weight306.37 g/mol
Exact Mass306.16
IUPAC Name6-[4-(4-ethylphenyl)-3,6-dihydro-2H-pyridin-1-yl]tetrazolo[1,5-b]pyridazine
SMILESCCc1ccc(C2=CCN(c3ccc4nnnn4n3)CC2)cc1
InChIInChI=1S/C17H18N6/c1-2-13-3-5-14(6-4-13)15-9-11-22(12-10-15)17-8-7-16-18-20-21-23(16)19-17/h3-9H,2,10-12H2,1H3
InChIKeyFDCGUCPPRIHAFS-UHFFFAOYSA-N
XLogP2.38
TPSA59.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(4-ethylphenyl)-3,6-dihydro-2H-pyridin-1-yl]tetrazolo[1,5-b]pyridazine?
The IUPAC name of 6-[4-(4-ethylphenyl)-3,6-dihydro-2H-pyridin-1-yl]tetrazolo[1,5-b]pyridazine (CID 133444379) is 6-[4-(4-ethylphenyl)-3,6-dihydro-2H-pyridin-1-yl]tetrazolo[1,5-b]pyridazine.
What is the SMILES notation for 6-[4-(4-ethylphenyl)-3,6-dihydro-2H-pyridin-1-yl]tetrazolo[1,5-b]pyridazine?
The canonical SMILES for 6-[4-(4-ethylphenyl)-3,6-dihydro-2H-pyridin-1-yl]tetrazolo[1,5-b]pyridazine is CCc1ccc(C2=CCN(c3ccc4nnnn4n3)CC2)cc1.
What is the InChIKey of 6-[4-(4-ethylphenyl)-3,6-dihydro-2H-pyridin-1-yl]tetrazolo[1,5-b]pyridazine?
The InChIKey is FDCGUCPPRIHAFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6/c1-2-13-3-5-14(6-4-13)15-9-11-22(12-10-15)17-8-7-16-18-20-21-23(16)19-17/h3-9H,2,10-12H2,1H3.
What are the key properties of 6-[4-(4-ethylphenyl)-3,6-dihydro-2H-pyridin-1-yl]tetrazolo[1,5-b]pyridazine?
6-[4-(4-ethylphenyl)-3,6-dihydro-2H-pyridin-1-yl]tetrazolo[1,5-b]pyridazine has a molecular weight of 306.37 g/mol, XLogP of 2.38, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(4-ethylphenyl)-3,6-dihydro-2H-pyridin-1-yl]tetrazolo[1,5-b]pyridazine is sourced from PubChem (CID 133444379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).