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

C16H18ClN7 — CID 51928969

IUPACN-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]tetrazolo[1,5-b]pyridazin-6-amine
SMILESClc1ccccc1[C@H](CNc1ccc2nnnn2n1)N1CCCC1
InChIInChI=1S/C16H18ClN7/c17-13-6-2-1-5-12(13)14(23-9-3-4-10-23)11-18-15-7-8-16-19-21-22-24(16)20-15/h1-2,5-8,14H,3-4,9-11H2,(H,18,20)/t14-/m0/s1
InChIKeyKBEWFOLRUSXMCJ-AWEZNQCLSA-N
MW343.82 g/mol
LogP2.42
Rot. Bonds5

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

N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]tetrazolo[1,5-b]pyridazin-6-amine (PubChem CID 51928969) has the molecular formula C16H18ClN7 and a molecular weight of 343.82 g/mol. Its IUPAC name is N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]tetrazolo[1,5-b]pyridazin-6-amine.

Molecular Properties

Compound NameN-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]tetrazolo[1,5-b]pyridazin-6-amine
PubChem CID51928969
Molecular FormulaC16H18ClN7
Molecular Weight343.82 g/mol
Exact Mass343.13
IUPAC NameN-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]tetrazolo[1,5-b]pyridazin-6-amine
SMILESClc1ccccc1[C@H](CNc1ccc2nnnn2n1)N1CCCC1
InChIInChI=1S/C16H18ClN7/c17-13-6-2-1-5-12(13)14(23-9-3-4-10-23)11-18-15-7-8-16-19-21-22-24(16)20-15/h1-2,5-8,14H,3-4,9-11H2,(H,18,20)/t14-/m0/s1
InChIKeyKBEWFOLRUSXMCJ-AWEZNQCLSA-N
XLogP2.42
TPSA71.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.82
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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-methoxyphenyl)-2-pyrrolidin-1-ylethyl]tetrazolo[1,5-b]pyridazin-6-amine
CID 92813665
N-(2-pyrrolidin-1-ylpropyl)tetrazolo[1,5-b]pyridazin-6-amine
CID 113222142
N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]tetrazolo[1,5-b]pyridazin-6-amine
CID 51535949
1-piperidin-1-yl-2-(tetrazolo[1,5-b]pyridazin-6-ylamino)ethanone
CID 47280701
1-(4-chlorophenyl)-2-(tetrazolo[1,5-b]pyridazin-6-ylamino)ethanol
CID 42947574
N-(2-methoxypropyl)tetrazolo[1,5-b]pyridazin-6-amine
CID 102699023
(1S)-1-cyclohexyl-N,N-dimethyl-N'-(tetrazolo[1,5-b]pyridazin-6-yl)ethane-1,2-diamine
CID 94063941
2-[[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]amino]pyridine-3-carbonitrile
CID 51969093
1-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-pyridin-3-ylurea
CID 18101923
(2S)-2-N,2-N-diethyl-4-methyl-1-N-(tetrazolo[1,5-b]pyridazin-6-yl)pentane-1,2-diamine
CID 25469022
N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-1,3-dimethylpyrazole-4-sulfonamide
CID 46966777

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]tetrazolo[1,5-b]pyridazin-6-amine?
The IUPAC name of N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]tetrazolo[1,5-b]pyridazin-6-amine (CID 51928969) is N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]tetrazolo[1,5-b]pyridazin-6-amine.
What is the SMILES notation for N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]tetrazolo[1,5-b]pyridazin-6-amine?
The canonical SMILES for N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]tetrazolo[1,5-b]pyridazin-6-amine is Clc1ccccc1[C@H](CNc1ccc2nnnn2n1)N1CCCC1.
What is the InChIKey of N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]tetrazolo[1,5-b]pyridazin-6-amine?
The InChIKey is KBEWFOLRUSXMCJ-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H18ClN7/c17-13-6-2-1-5-12(13)14(23-9-3-4-10-23)11-18-15-7-8-16-19-21-22-24(16)20-15/h1-2,5-8,14H,3-4,9-11H2,(H,18,20)/t14-/m0/s1.
What are the key properties of N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]tetrazolo[1,5-b]pyridazin-6-amine?
N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]tetrazolo[1,5-b]pyridazin-6-amine has a molecular weight of 343.82 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]tetrazolo[1,5-b]pyridazin-6-amine is sourced from PubChem (CID 51928969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).