6-(4-phenylazepan-1-yl)tetrazolo[1,5-b]pyridazine

C16H18N6 — CID 133286661

IUPAC6-(4-phenylazepan-1-yl)tetrazolo[1,5-b]pyridazine
SMILESc1ccc(C2CCCN(c3ccc4nnnn4n3)CC2)cc1
InChIInChI=1S/C16H18N6/c1-2-5-13(6-3-1)14-7-4-11-21(12-10-14)16-9-8-15-17-19-20-22(15)18-16/h1-3,5-6,8-9,14H,4,7,10-12H2
InChIKeyDDDZQPLSQVANSR-UHFFFAOYSA-N
MW294.36 g/mol
LogP2.29
Rot. Bonds2

About 6-(4-phenylazepan-1-yl)tetrazolo[1,5-b]pyridazine

6-(4-phenylazepan-1-yl)tetrazolo[1,5-b]pyridazine (PubChem CID 133286661) has the molecular formula C16H18N6 and a molecular weight of 294.36 g/mol. Its IUPAC name is 6-(4-phenylazepan-1-yl)tetrazolo[1,5-b]pyridazine.

Molecular Properties

Compound Name6-(4-phenylazepan-1-yl)tetrazolo[1,5-b]pyridazine
PubChem CID133286661
Molecular FormulaC16H18N6
Molecular Weight294.36 g/mol
Exact Mass294.16
IUPAC Name6-(4-phenylazepan-1-yl)tetrazolo[1,5-b]pyridazine
SMILESc1ccc(C2CCCN(c3ccc4nnnn4n3)CC2)cc1
InChIInChI=1S/C16H18N6/c1-2-5-13(6-3-1)14-7-4-11-21(12-10-14)16-9-8-15-17-19-20-22(15)18-16/h1-3,5-6,8-9,14H,4,7,10-12H2
InChIKeyDDDZQPLSQVANSR-UHFFFAOYSA-N
XLogP2.29
TPSA59.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-[4-(3-methoxyphenyl)piperidin-1-yl]tetrazolo[1,5-b]pyridazine
CID 133279385
ethane;4-[1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidin-4-yl]benzonitrile
CID 177329248
6-(4-phenylpiperazin-1-yl)tetrazolo[1,5-b]pyridazine
CID 685555
6-[4-(1H-indol-3-yl)piperidin-1-yl]tetrazolo[1,5-b]pyridazine
CID 134036776
6-[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]tetrazolo[1,5-b]pyridazine
CID 86773031
6-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]tetrazolo[1,5-b]pyridazine
CID 24590309
6-(4-phenylazepan-1-yl)pyridine-3-carboxamide
CID 166186710
6-[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]tetrazolo[1,5-b]pyridazine
CID 133279638
6-[(3R)-3-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]piperidin-1-yl]tetrazolo[1,5-b]pyridazine
CID 94135439
6-[3-(azepan-1-ylmethyl)piperidin-1-yl]tetrazolo[1,5-b]pyridazine
CID 71933519
2-methyl-6-phenyl-4-(tetrazolo[1,5-b]pyridazin-6-yl)morpholine
CID 47983394
N-phenyl-N-prop-2-enyl-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide
CID 30822093

Frequently Asked Questions

What is the IUPAC name of 6-(4-phenylazepan-1-yl)tetrazolo[1,5-b]pyridazine?
The IUPAC name of 6-(4-phenylazepan-1-yl)tetrazolo[1,5-b]pyridazine (CID 133286661) is 6-(4-phenylazepan-1-yl)tetrazolo[1,5-b]pyridazine.
What is the SMILES notation for 6-(4-phenylazepan-1-yl)tetrazolo[1,5-b]pyridazine?
The canonical SMILES for 6-(4-phenylazepan-1-yl)tetrazolo[1,5-b]pyridazine is c1ccc(C2CCCN(c3ccc4nnnn4n3)CC2)cc1.
What is the InChIKey of 6-(4-phenylazepan-1-yl)tetrazolo[1,5-b]pyridazine?
The InChIKey is DDDZQPLSQVANSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6/c1-2-5-13(6-3-1)14-7-4-11-21(12-10-14)16-9-8-15-17-19-20-22(15)18-16/h1-3,5-6,8-9,14H,4,7,10-12H2.
What are the key properties of 6-(4-phenylazepan-1-yl)tetrazolo[1,5-b]pyridazine?
6-(4-phenylazepan-1-yl)tetrazolo[1,5-b]pyridazine has a molecular weight of 294.36 g/mol, XLogP of 2.29, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-phenylazepan-1-yl)tetrazolo[1,5-b]pyridazine is sourced from PubChem (CID 133286661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).