ethane;4-[1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidin-4-yl]benzonitrile

C18H21N7 — CID 177329248

IUPACethane;4-[1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidin-4-yl]benzonitrile
SMILESCC.N#Cc1ccc(C2CCN(c3ccc4nnnn4n3)CC2)cc1
InChIInChI=1S/C16H15N7.C2H6/c17-11-12-1-3-13(4-2-12)14-7-9-22(10-8-14)16-6-5-15-18-20-21-23(15)19-16;1-2/h1-6,14H,7-10H2;1-2H3
InChIKeySLHBATMPBNZROT-UHFFFAOYSA-N
MW335.42 g/mol
LogP2.80
Rot. Bonds2

About ethane;4-[1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidin-4-yl]benzonitrile

ethane;4-[1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidin-4-yl]benzonitrile (PubChem CID 177329248) has the molecular formula C18H21N7 and a molecular weight of 335.42 g/mol. Its IUPAC name is ethane;4-[1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidin-4-yl]benzonitrile.

Molecular Properties

Compound Nameethane;4-[1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidin-4-yl]benzonitrile
PubChem CID177329248
Molecular FormulaC18H21N7
Molecular Weight335.42 g/mol
Exact Mass335.19
IUPAC Nameethane;4-[1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidin-4-yl]benzonitrile
SMILESCC.N#Cc1ccc(C2CCN(c3ccc4nnnn4n3)CC2)cc1
InChIInChI=1S/C16H15N7.C2H6/c17-11-12-1-3-13(4-2-12)14-7-9-22(10-8-14)16-6-5-15-18-20-21-23(15)19-16;1-2/h1-6,14H,7-10H2;1-2H3
InChIKeySLHBATMPBNZROT-UHFFFAOYSA-N
XLogP2.80
TPSA83.00 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.42
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

6-(4-phenylazepan-1-yl)tetrazolo[1,5-b]pyridazine
CID 133286661
6-[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]tetrazolo[1,5-b]pyridazine
CID 86773031
6-[4-(3-methoxyphenyl)piperidin-1-yl]tetrazolo[1,5-b]pyridazine
CID 133279385
6-[4-(3-methylbutyl)piperidin-1-yl]tetrazolo[1,5-b]pyridazine
CID 133380765
6-[4-(1H-indol-3-yl)piperidin-1-yl]tetrazolo[1,5-b]pyridazine
CID 134036776
(2S)-2-methyl-4-[1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidin-4-yl]morpholine
CID 95580708
1-(tetrazolo[1,5-b]pyridazin-6-yl)pyrrolidine-3,4-diol
CID 106673388
6-(4-phenylpiperazin-1-yl)tetrazolo[1,5-b]pyridazine
CID 685555
6-[(3S,5S)-3,5-dimethylpiperidin-1-yl]tetrazolo[1,5-b]pyridazine
CID 26007594
6-[4-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]piperazin-1-yl]tetrazolo[1,5-b]pyridazine
CID 98848601
N-[(4-tert-butylphenyl)methyl]-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide
CID 166198550
4-methyl-N-[1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidin-4-yl]-1,3-thiazol-2-amine
CID 133481383

Frequently Asked Questions

What is the IUPAC name of ethane;4-[1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidin-4-yl]benzonitrile?
The IUPAC name of ethane;4-[1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidin-4-yl]benzonitrile (CID 177329248) is ethane;4-[1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidin-4-yl]benzonitrile.
What is the SMILES notation for ethane;4-[1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidin-4-yl]benzonitrile?
The canonical SMILES for ethane;4-[1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidin-4-yl]benzonitrile is CC.N#Cc1ccc(C2CCN(c3ccc4nnnn4n3)CC2)cc1.
What is the InChIKey of ethane;4-[1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidin-4-yl]benzonitrile?
The InChIKey is SLHBATMPBNZROT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N7.C2H6/c17-11-12-1-3-13(4-2-12)14-7-9-22(10-8-14)16-6-5-15-18-20-21-23(15)19-16;1-2/h1-6,14H,7-10H2;1-2H3.
What are the key properties of ethane;4-[1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidin-4-yl]benzonitrile?
ethane;4-[1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidin-4-yl]benzonitrile has a molecular weight of 335.42 g/mol, XLogP of 2.80, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-[1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidin-4-yl]benzonitrile is sourced from PubChem (CID 177329248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).