N-[(1-ethylpyrrolidin-2-yl)methyl]-6-phenylpyridazin-3-amine;hydrochloride

C17H23ClN4 — CID 45265478

IUPACN-[(1-ethylpyrrolidin-2-yl)methyl]-6-phenylpyridazin-3-amine;hydrochloride
SMILESCCN1CCCC1CNc1ccc(-c2ccccc2)nn1.Cl
InChIInChI=1S/C17H22N4.ClH/c1-2-21-12-6-9-15(21)13-18-17-11-10-16(19-20-17)14-7-4-3-5-8-14;/h3-5,7-8,10-11,15H,2,6,9,12-13H2,1H3,(H,18,20);1H
InChIKeyLADHVXKJEVVHCX-UHFFFAOYSA-N
MW318.85 g/mol
LogP3.46
Rot. Bonds5

About N-[(1-ethylpyrrolidin-2-yl)methyl]-6-phenylpyridazin-3-amine;hydrochloride

N-[(1-ethylpyrrolidin-2-yl)methyl]-6-phenylpyridazin-3-amine;hydrochloride (PubChem CID 45265478) has the molecular formula C17H23ClN4 and a molecular weight of 318.85 g/mol. Its IUPAC name is N-[(1-ethylpyrrolidin-2-yl)methyl]-6-phenylpyridazin-3-amine;hydrochloride.

Molecular Properties

Compound NameN-[(1-ethylpyrrolidin-2-yl)methyl]-6-phenylpyridazin-3-amine;hydrochloride
PubChem CID45265478
Molecular FormulaC17H23ClN4
Molecular Weight318.85 g/mol
Exact Mass318.16
IUPAC NameN-[(1-ethylpyrrolidin-2-yl)methyl]-6-phenylpyridazin-3-amine;hydrochloride
SMILESCCN1CCCC1CNc1ccc(-c2ccccc2)nn1.Cl
InChIInChI=1S/C17H22N4.ClH/c1-2-21-12-6-9-15(21)13-18-17-11-10-16(19-20-17)14-7-4-3-5-8-14;/h3-5,7-8,10-11,15H,2,6,9,12-13H2,1H3,(H,18,20);1H
InChIKeyLADHVXKJEVVHCX-UHFFFAOYSA-N
XLogP3.46
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.85
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-6-phenylpyridazin-3-amine;hydrochloride?
The IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-6-phenylpyridazin-3-amine;hydrochloride (CID 45265478) is N-[(1-ethylpyrrolidin-2-yl)methyl]-6-phenylpyridazin-3-amine;hydrochloride.
What is the SMILES notation for N-[(1-ethylpyrrolidin-2-yl)methyl]-6-phenylpyridazin-3-amine;hydrochloride?
The canonical SMILES for N-[(1-ethylpyrrolidin-2-yl)methyl]-6-phenylpyridazin-3-amine;hydrochloride is CCN1CCCC1CNc1ccc(-c2ccccc2)nn1.Cl.
What is the InChIKey of N-[(1-ethylpyrrolidin-2-yl)methyl]-6-phenylpyridazin-3-amine;hydrochloride?
The InChIKey is LADHVXKJEVVHCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4.ClH/c1-2-21-12-6-9-15(21)13-18-17-11-10-16(19-20-17)14-7-4-3-5-8-14;/h3-5,7-8,10-11,15H,2,6,9,12-13H2,1H3,(H,18,20);1H.
What are the key properties of N-[(1-ethylpyrrolidin-2-yl)methyl]-6-phenylpyridazin-3-amine;hydrochloride?
N-[(1-ethylpyrrolidin-2-yl)methyl]-6-phenylpyridazin-3-amine;hydrochloride has a molecular weight of 318.85 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrrolidin-2-yl)methyl]-6-phenylpyridazin-3-amine;hydrochloride is sourced from PubChem (CID 45265478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).