1-piperidin-1-yl-2-(tetrazolo[1,5-b]pyridazin-6-ylamino)ethanone

C11H15N7O — CID 47280701

IUPAC1-piperidin-1-yl-2-(tetrazolo[1,5-b]pyridazin-6-ylamino)ethanone
SMILESO=C(CNc1ccc2nnnn2n1)N1CCCCC1
InChIInChI=1S/C11H15N7O/c19-11(17-6-2-1-3-7-17)8-12-9-4-5-10-13-15-16-18(10)14-9/h4-5H,1-3,6-8H2,(H,12,14)
InChIKeyKMKDCSFAZOBVGU-UHFFFAOYSA-N
MW261.29 g/mol
LogP-0.06
Rot. Bonds3

About 1-piperidin-1-yl-2-(tetrazolo[1,5-b]pyridazin-6-ylamino)ethanone

1-piperidin-1-yl-2-(tetrazolo[1,5-b]pyridazin-6-ylamino)ethanone (PubChem CID 47280701) has the molecular formula C11H15N7O and a molecular weight of 261.29 g/mol. Its IUPAC name is 1-piperidin-1-yl-2-(tetrazolo[1,5-b]pyridazin-6-ylamino)ethanone.

Molecular Properties

Compound Name1-piperidin-1-yl-2-(tetrazolo[1,5-b]pyridazin-6-ylamino)ethanone
PubChem CID47280701
Molecular FormulaC11H15N7O
Molecular Weight261.29 g/mol
Exact Mass261.13
IUPAC Name1-piperidin-1-yl-2-(tetrazolo[1,5-b]pyridazin-6-ylamino)ethanone
SMILESO=C(CNc1ccc2nnnn2n1)N1CCCCC1
InChIInChI=1S/C11H15N7O/c19-11(17-6-2-1-3-7-17)8-12-9-4-5-10-13-15-16-18(10)14-9/h4-5H,1-3,6-8H2,(H,12,14)
InChIKeyKMKDCSFAZOBVGU-UHFFFAOYSA-N
XLogP-0.06
TPSA88.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(5-methyl-2-pyridinyl)amino]-1-piperidin-1-ylethanone
CID 112696676
1-[(tetrazolo[1,5-b]pyridazin-6-ylamino)methyl]cycloheptan-1-ol
CID 78993011
1-[(tetrazolo[1,5-b]pyridazin-6-ylamino)methyl]cyclohexan-1-ol
CID 78990679
N-(3-ethyl-2-pyrrolidin-1-ylpentyl)tetrazolo[1,5-b]pyridazin-6-amine
CID 51076061
N-[(1-methylcyclopropyl)methyl]tetrazolo[1,5-b]pyridazin-6-amine
CID 103725068
(1S)-1-cyclohexyl-N,N-dimethyl-N'-(tetrazolo[1,5-b]pyridazin-6-yl)ethane-1,2-diamine
CID 94063941
2,2-dimethyl-N'-(tetrazolo[1,5-b]pyridazin-6-yl)propane-1,3-diamine
CID 115366197
N-[(2S)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]tetrazolo[1,5-b]pyridazin-6-amine
CID 51928967
N-(2-methyl-3-methylsulfanylpropyl)tetrazolo[1,5-b]pyridazin-6-amine
CID 78957763
2-[(5-methyl-1,2-oxazol-3-yl)amino]-1-piperidin-1-ylethanone
CID 108993555
N-(2-methyl-2-morpholin-4-ylpropyl)tetrazolo[1,5-b]pyridazin-6-amine
CID 17449664
N-[(1-ethylcyclopentyl)methyl]tetrazolo[1,5-b]pyridazin-6-amine
CID 113257468

Frequently Asked Questions

What is the IUPAC name of 1-piperidin-1-yl-2-(tetrazolo[1,5-b]pyridazin-6-ylamino)ethanone?
The IUPAC name of 1-piperidin-1-yl-2-(tetrazolo[1,5-b]pyridazin-6-ylamino)ethanone (CID 47280701) is 1-piperidin-1-yl-2-(tetrazolo[1,5-b]pyridazin-6-ylamino)ethanone.
What is the SMILES notation for 1-piperidin-1-yl-2-(tetrazolo[1,5-b]pyridazin-6-ylamino)ethanone?
The canonical SMILES for 1-piperidin-1-yl-2-(tetrazolo[1,5-b]pyridazin-6-ylamino)ethanone is O=C(CNc1ccc2nnnn2n1)N1CCCCC1.
What is the InChIKey of 1-piperidin-1-yl-2-(tetrazolo[1,5-b]pyridazin-6-ylamino)ethanone?
The InChIKey is KMKDCSFAZOBVGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N7O/c19-11(17-6-2-1-3-7-17)8-12-9-4-5-10-13-15-16-18(10)14-9/h4-5H,1-3,6-8H2,(H,12,14).
What are the key properties of 1-piperidin-1-yl-2-(tetrazolo[1,5-b]pyridazin-6-ylamino)ethanone?
1-piperidin-1-yl-2-(tetrazolo[1,5-b]pyridazin-6-ylamino)ethanone has a molecular weight of 261.29 g/mol, XLogP of -0.06, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-1-yl-2-(tetrazolo[1,5-b]pyridazin-6-ylamino)ethanone is sourced from PubChem (CID 47280701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).