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

C17H21N7O — CID 92813665

IUPACN-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]tetrazolo[1,5-b]pyridazin-6-amine
SMILESCOc1ccccc1[C@H](CNc1ccc2nnnn2n1)N1CCCC1
InChIInChI=1S/C17H21N7O/c1-25-15-7-3-2-6-13(15)14(23-10-4-5-11-23)12-18-16-8-9-17-19-21-22-24(17)20-16/h2-3,6-9,14H,4-5,10-12H2,1H3,(H,18,20)/t14-/m0/s1
InChIKeyCABCVPCEOKIYBC-AWEZNQCLSA-N
MW339.40 g/mol
LogP1.78
Rot. Bonds6

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

N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]tetrazolo[1,5-b]pyridazin-6-amine (PubChem CID 92813665) has the molecular formula C17H21N7O and a molecular weight of 339.40 g/mol. Its IUPAC name is N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]tetrazolo[1,5-b]pyridazin-6-amine.

Molecular Properties

Compound NameN-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]tetrazolo[1,5-b]pyridazin-6-amine
PubChem CID92813665
Molecular FormulaC17H21N7O
Molecular Weight339.40 g/mol
Exact Mass339.18
IUPAC NameN-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]tetrazolo[1,5-b]pyridazin-6-amine
SMILESCOc1ccccc1[C@H](CNc1ccc2nnnn2n1)N1CCCC1
InChIInChI=1S/C17H21N7O/c1-25-15-7-3-2-6-13(15)14(23-10-4-5-11-23)12-18-16-8-9-17-19-21-22-24(17)20-16/h2-3,6-9,14H,4-5,10-12H2,1H3,(H,18,20)/t14-/m0/s1
InChIKeyCABCVPCEOKIYBC-AWEZNQCLSA-N
XLogP1.78
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

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-pyrrolidin-1-ylpropyl)tetrazolo[1,5-b]pyridazin-6-amine
CID 113222142
N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-6-methylpyridin-2-amine
CID 133481541
N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120969828
2,3,5,6-tetrafluoro-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]pyridin-4-amine
CID 133370616
N-[(2S)-2-(3-methylphenyl)-2-morpholin-4-ylethyl]tetrazolo[1,5-b]pyridazin-6-amine
CID 36835462
N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]tetrazolo[1,5-b]pyridazin-6-amine
CID 56816190
N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-3-methyl-1,2,4-thiadiazol-5-amine
CID 133319501
N-[(2S)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-(tetrazol-1-yl)benzamide
CID 2472228
N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-(tetrazol-1-yl)benzamide
CID 2472231
1-tert-butyl-3-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-methylguanidine
CID 110966240

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]tetrazolo[1,5-b]pyridazin-6-amine?
The IUPAC name of N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]tetrazolo[1,5-b]pyridazin-6-amine (CID 92813665) is N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]tetrazolo[1,5-b]pyridazin-6-amine.
What is the SMILES notation for N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]tetrazolo[1,5-b]pyridazin-6-amine?
The canonical SMILES for N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]tetrazolo[1,5-b]pyridazin-6-amine is COc1ccccc1[C@H](CNc1ccc2nnnn2n1)N1CCCC1.
What is the InChIKey of N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]tetrazolo[1,5-b]pyridazin-6-amine?
The InChIKey is CABCVPCEOKIYBC-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H21N7O/c1-25-15-7-3-2-6-13(15)14(23-10-4-5-11-23)12-18-16-8-9-17-19-21-22-24(17)20-16/h2-3,6-9,14H,4-5,10-12H2,1H3,(H,18,20)/t14-/m0/s1.
What are the key properties of N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]tetrazolo[1,5-b]pyridazin-6-amine?
N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]tetrazolo[1,5-b]pyridazin-6-amine has a molecular weight of 339.40 g/mol, XLogP of 1.78, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]tetrazolo[1,5-b]pyridazin-6-amine is sourced from PubChem (CID 92813665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).