N-[3-(4-methylpiperidin-1-yl)propyl]tetrazolo[1,5-b]pyridazin-6-amine

C13H21N7 — CID 24590303

IUPACN-[3-(4-methylpiperidin-1-yl)propyl]tetrazolo[1,5-b]pyridazin-6-amine
SMILESCC1CCN(CCCNc2ccc3nnnn3n2)CC1
InChIInChI=1S/C13H21N7/c1-11-5-9-19(10-6-11)8-2-7-14-12-3-4-13-15-17-18-20(13)16-12/h3-4,11H,2,5-10H2,1H3,(H,14,16)
InChIKeyKWIATMDAQSQYQD-UHFFFAOYSA-N
MW275.36 g/mol
LogP1.05
Rot. Bonds5

About N-[3-(4-methylpiperidin-1-yl)propyl]tetrazolo[1,5-b]pyridazin-6-amine

N-[3-(4-methylpiperidin-1-yl)propyl]tetrazolo[1,5-b]pyridazin-6-amine (PubChem CID 24590303) has the molecular formula C13H21N7 and a molecular weight of 275.36 g/mol. Its IUPAC name is N-[3-(4-methylpiperidin-1-yl)propyl]tetrazolo[1,5-b]pyridazin-6-amine.

Molecular Properties

Compound NameN-[3-(4-methylpiperidin-1-yl)propyl]tetrazolo[1,5-b]pyridazin-6-amine
PubChem CID24590303
Molecular FormulaC13H21N7
Molecular Weight275.36 g/mol
Exact Mass275.19
IUPAC NameN-[3-(4-methylpiperidin-1-yl)propyl]tetrazolo[1,5-b]pyridazin-6-amine
SMILESCC1CCN(CCCNc2ccc3nnnn3n2)CC1
InChIInChI=1S/C13H21N7/c1-11-5-9-19(10-6-11)8-2-7-14-12-3-4-13-15-17-18-20(13)16-12/h3-4,11H,2,5-10H2,1H3,(H,14,16)
InChIKeyKWIATMDAQSQYQD-UHFFFAOYSA-N
XLogP1.05
TPSA71.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-octyltetrazolo[1,5-b]pyridazin-6-amine
CID 113337448
N-[[2-[[(3R)-3-methylpiperidin-1-yl]methyl]phenyl]methyl]tetrazolo[1,5-b]pyridazin-6-amine
CID 94424858
N-[3-(2-methylpropylsulfanyl)propyl]tetrazolo[1,5-b]pyridazin-6-amine
CID 75432970
N-[(1-methylcyclopropyl)methyl]tetrazolo[1,5-b]pyridazin-6-amine
CID 103725068
5-tert-butyl-N-[2-(4-methylpiperidin-1-yl)ethyl]pyridin-2-amine
CID 107874553
6-[3-(4-methylpiperidin-1-yl)propylamino]pyrazine-2-carboxamide
CID 133358716
N-[(4-methylmorpholin-2-yl)methyl]tetrazolo[1,5-b]pyridazin-6-amine
CID 78986336
N-(2,2-dimethylbutyl)tetrazolo[1,5-b]pyridazin-6-amine
CID 103462537
N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 60520890
N-(2-pyrrolidin-1-ylpropyl)tetrazolo[1,5-b]pyridazin-6-amine
CID 113222142
N-[1-(cyclopentylmethyl)piperidin-4-yl]tetrazolo[1,5-b]pyridazin-6-amine
CID 56821952
(1S)-1-cyclohexyl-N,N-dimethyl-N'-(tetrazolo[1,5-b]pyridazin-6-yl)ethane-1,2-diamine
CID 94063941

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-methylpiperidin-1-yl)propyl]tetrazolo[1,5-b]pyridazin-6-amine?
The IUPAC name of N-[3-(4-methylpiperidin-1-yl)propyl]tetrazolo[1,5-b]pyridazin-6-amine (CID 24590303) is N-[3-(4-methylpiperidin-1-yl)propyl]tetrazolo[1,5-b]pyridazin-6-amine.
What is the SMILES notation for N-[3-(4-methylpiperidin-1-yl)propyl]tetrazolo[1,5-b]pyridazin-6-amine?
The canonical SMILES for N-[3-(4-methylpiperidin-1-yl)propyl]tetrazolo[1,5-b]pyridazin-6-amine is CC1CCN(CCCNc2ccc3nnnn3n2)CC1.
What is the InChIKey of N-[3-(4-methylpiperidin-1-yl)propyl]tetrazolo[1,5-b]pyridazin-6-amine?
The InChIKey is KWIATMDAQSQYQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N7/c1-11-5-9-19(10-6-11)8-2-7-14-12-3-4-13-15-17-18-20(13)16-12/h3-4,11H,2,5-10H2,1H3,(H,14,16).
What are the key properties of N-[3-(4-methylpiperidin-1-yl)propyl]tetrazolo[1,5-b]pyridazin-6-amine?
N-[3-(4-methylpiperidin-1-yl)propyl]tetrazolo[1,5-b]pyridazin-6-amine has a molecular weight of 275.36 g/mol, XLogP of 1.05, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-methylpiperidin-1-yl)propyl]tetrazolo[1,5-b]pyridazin-6-amine is sourced from PubChem (CID 24590303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).