N-(2-pyrrolidin-1-ylpropyl)tetrazolo[1,5-b]pyridazin-6-amine

C11H17N7 — CID 113222142

IUPACN-(2-pyrrolidin-1-ylpropyl)tetrazolo[1,5-b]pyridazin-6-amine
SMILESCC(CNc1ccc2nnnn2n1)N1CCCC1
InChIInChI=1S/C11H17N7/c1-9(17-6-2-3-7-17)8-12-10-4-5-11-13-15-16-18(11)14-10/h4-5,9H,2-3,6-8H2,1H3,(H,12,14)
InChIKeyYAFNKFQBYVEGSC-UHFFFAOYSA-N
MW247.31 g/mol
LogP0.42
Rot. Bonds4

About N-(2-pyrrolidin-1-ylpropyl)tetrazolo[1,5-b]pyridazin-6-amine

N-(2-pyrrolidin-1-ylpropyl)tetrazolo[1,5-b]pyridazin-6-amine (PubChem CID 113222142) has the molecular formula C11H17N7 and a molecular weight of 247.31 g/mol. Its IUPAC name is N-(2-pyrrolidin-1-ylpropyl)tetrazolo[1,5-b]pyridazin-6-amine.

Molecular Properties

Compound NameN-(2-pyrrolidin-1-ylpropyl)tetrazolo[1,5-b]pyridazin-6-amine
PubChem CID113222142
Molecular FormulaC11H17N7
Molecular Weight247.31 g/mol
Exact Mass247.15
IUPAC NameN-(2-pyrrolidin-1-ylpropyl)tetrazolo[1,5-b]pyridazin-6-amine
SMILESCC(CNc1ccc2nnnn2n1)N1CCCC1
InChIInChI=1S/C11H17N7/c1-9(17-6-2-3-7-17)8-12-10-4-5-11-13-15-16-18(11)14-10/h4-5,9H,2-3,6-8H2,1H3,(H,12,14)
InChIKeyYAFNKFQBYVEGSC-UHFFFAOYSA-N
XLogP0.42
TPSA71.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.31
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3-ethyl-2-pyrrolidin-1-ylpentyl)tetrazolo[1,5-b]pyridazin-6-amine
CID 51076061
N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]tetrazolo[1,5-b]pyridazin-6-amine
CID 92813665
N-(2-methyl-3-methylsulfanylpropyl)tetrazolo[1,5-b]pyridazin-6-amine
CID 78957763
N-[(2S)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]tetrazolo[1,5-b]pyridazin-6-amine
CID 51928967
N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]tetrazolo[1,5-b]pyridazin-6-amine
CID 51928969
N-(2-methoxypropyl)tetrazolo[1,5-b]pyridazin-6-amine
CID 102699023
(2S)-2-N,2-N-diethyl-4-methyl-1-N-(tetrazolo[1,5-b]pyridazin-6-yl)pentane-1,2-diamine
CID 25469022
(1S)-1-cyclohexyl-N,N-dimethyl-N'-(tetrazolo[1,5-b]pyridazin-6-yl)ethane-1,2-diamine
CID 94063941
1-piperidin-1-yl-2-(tetrazolo[1,5-b]pyridazin-6-ylamino)ethanone
CID 47280701
N-[3-(3,4-dimethoxyphenyl)-2-methylpropyl]tetrazolo[1,5-b]pyridazin-6-amine
CID 133431135
N-[(1-methylcyclopropyl)methyl]tetrazolo[1,5-b]pyridazin-6-amine
CID 103725068
(1R)-N,N-dimethyl-1-phenyl-N'-(tetrazolo[1,5-b]pyridazin-6-yl)ethane-1,2-diamine
CID 40843444

Frequently Asked Questions

What is the IUPAC name of N-(2-pyrrolidin-1-ylpropyl)tetrazolo[1,5-b]pyridazin-6-amine?
The IUPAC name of N-(2-pyrrolidin-1-ylpropyl)tetrazolo[1,5-b]pyridazin-6-amine (CID 113222142) is N-(2-pyrrolidin-1-ylpropyl)tetrazolo[1,5-b]pyridazin-6-amine.
What is the SMILES notation for N-(2-pyrrolidin-1-ylpropyl)tetrazolo[1,5-b]pyridazin-6-amine?
The canonical SMILES for N-(2-pyrrolidin-1-ylpropyl)tetrazolo[1,5-b]pyridazin-6-amine is CC(CNc1ccc2nnnn2n1)N1CCCC1.
What is the InChIKey of N-(2-pyrrolidin-1-ylpropyl)tetrazolo[1,5-b]pyridazin-6-amine?
The InChIKey is YAFNKFQBYVEGSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N7/c1-9(17-6-2-3-7-17)8-12-10-4-5-11-13-15-16-18(11)14-10/h4-5,9H,2-3,6-8H2,1H3,(H,12,14).
What are the key properties of N-(2-pyrrolidin-1-ylpropyl)tetrazolo[1,5-b]pyridazin-6-amine?
N-(2-pyrrolidin-1-ylpropyl)tetrazolo[1,5-b]pyridazin-6-amine has a molecular weight of 247.31 g/mol, XLogP of 0.42, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pyrrolidin-1-ylpropyl)tetrazolo[1,5-b]pyridazin-6-amine is sourced from PubChem (CID 113222142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).