(3R)-1-[2-[(4-methoxyphenyl)methyl]-1H-pyridazin-4-yl]pyrrolidin-3-amine

C16H22N4O — CID 141256061

IUPAC(3R)-1-[2-[(4-methoxyphenyl)methyl]-1H-pyridazin-4-yl]pyrrolidin-3-amine
SMILESCOc1ccc(CN2C=C(N3CC[C@@H](N)C3)C=CN2)cc1
InChIInChI=1S/C16H22N4O/c1-21-16-4-2-13(3-5-16)10-20-12-15(6-8-18-20)19-9-7-14(17)11-19/h2-6,8,12,14,18H,7,9-11,17H2,1H3/t14-/m1/s1
InChIKeyIETRKLXGWYZVJD-CQSZACIVSA-N
MW286.38 g/mol
LogP1.40
Rot. Bonds4

About (3R)-1-[2-[(4-methoxyphenyl)methyl]-1H-pyridazin-4-yl]pyrrolidin-3-amine

(3R)-1-[2-[(4-methoxyphenyl)methyl]-1H-pyridazin-4-yl]pyrrolidin-3-amine (PubChem CID 141256061) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is (3R)-1-[2-[(4-methoxyphenyl)methyl]-1H-pyridazin-4-yl]pyrrolidin-3-amine.

Molecular Properties

Compound Name(3R)-1-[2-[(4-methoxyphenyl)methyl]-1H-pyridazin-4-yl]pyrrolidin-3-amine
PubChem CID141256061
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name(3R)-1-[2-[(4-methoxyphenyl)methyl]-1H-pyridazin-4-yl]pyrrolidin-3-amine
SMILESCOc1ccc(CN2C=C(N3CC[C@@H](N)C3)C=CN2)cc1
InChIInChI=1S/C16H22N4O/c1-21-16-4-2-13(3-5-16)10-20-12-15(6-8-18-20)19-9-7-14(17)11-19/h2-6,8,12,14,18H,7,9-11,17H2,1H3/t14-/m1/s1
InChIKeyIETRKLXGWYZVJD-CQSZACIVSA-N
XLogP1.40
TPSA53.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (3R)-1-[2-[(4-methoxyphenyl)methyl]-1H-pyridazin-4-yl]pyrrolidin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S)-1-[2-(4-methoxyphenyl)ethyl]pyrrolidin-3-amine;hydrochloride
CID 119933968
(3R)-1-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]piperidin-3-amine
CID 95387512
2-[(4-methoxyphenyl)methyl]-1H-pyridazine
CID 175776844
(3R)-1-[(3-methoxyphenyl)methyl]pyrrolidin-3-amine
CID 24904638
1-(4-methoxyphenyl)piperidin-4-amine;hydrochloride
CID 57363410
1-(3-aminopyrrolidin-1-yl)-2-(4-methoxyphenyl)ethanone;hydrochloride
CID 119482626
(3S)-1-[(4-ethoxyphenyl)methyl]pyrrolidin-3-amine
CID 94339773
(3S)-1-[(4-methoxyphenyl)methyl]-3-methylpiperazine
CID 66524664
(3R)-1-[(4-ethoxyphenyl)methyl]pyrrolidin-3-amine
CID 68965269
3-(chloromethyl)-1-[(4-methoxyphenyl)methyl]pyrrolidine
CID 63388374
(3R)-1-[(4-methoxyphenyl)methyl]-3-methylpiperazine
CID 86328502
1-[2-(4-methoxyphenyl)ethyl]piperidin-3-amine
CID 61296672

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[2-[(4-methoxyphenyl)methyl]-1H-pyridazin-4-yl]pyrrolidin-3-amine?
The IUPAC name of (3R)-1-[2-[(4-methoxyphenyl)methyl]-1H-pyridazin-4-yl]pyrrolidin-3-amine (CID 141256061) is (3R)-1-[2-[(4-methoxyphenyl)methyl]-1H-pyridazin-4-yl]pyrrolidin-3-amine.
What is the SMILES notation for (3R)-1-[2-[(4-methoxyphenyl)methyl]-1H-pyridazin-4-yl]pyrrolidin-3-amine?
The canonical SMILES for (3R)-1-[2-[(4-methoxyphenyl)methyl]-1H-pyridazin-4-yl]pyrrolidin-3-amine is COc1ccc(CN2C=C(N3CC[C@@H](N)C3)C=CN2)cc1.
What is the InChIKey of (3R)-1-[2-[(4-methoxyphenyl)methyl]-1H-pyridazin-4-yl]pyrrolidin-3-amine?
The InChIKey is IETRKLXGWYZVJD-CQSZACIVSA-N. The full InChI is InChI=1S/C16H22N4O/c1-21-16-4-2-13(3-5-16)10-20-12-15(6-8-18-20)19-9-7-14(17)11-19/h2-6,8,12,14,18H,7,9-11,17H2,1H3/t14-/m1/s1.
What are the key properties of (3R)-1-[2-[(4-methoxyphenyl)methyl]-1H-pyridazin-4-yl]pyrrolidin-3-amine?
(3R)-1-[2-[(4-methoxyphenyl)methyl]-1H-pyridazin-4-yl]pyrrolidin-3-amine has a molecular weight of 286.38 g/mol, XLogP of 1.40, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[2-[(4-methoxyphenyl)methyl]-1H-pyridazin-4-yl]pyrrolidin-3-amine is sourced from PubChem (CID 141256061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).