1-[(3-methylpyrrolidin-3-yl)methyl]-4-pyridazin-3-yl-1,4-diazepane;hydrochloride

C15H26ClN5 — CID 120900106

IUPAC1-[(3-methylpyrrolidin-3-yl)methyl]-4-pyridazin-3-yl-1,4-diazepane;hydrochloride
SMILESCC1(CN2CCCN(c3cccnn3)CC2)CCNC1.Cl
InChIInChI=1S/C15H25N5.ClH/c1-15(5-7-16-12-15)13-19-8-3-9-20(11-10-19)14-4-2-6-17-18-14;/h2,4,6,16H,3,5,7-13H2,1H3;1H
InChIKeyZFGQGFUEPGJKAR-UHFFFAOYSA-N
MW311.86 g/mol
LogP1.41
Rot. Bonds3

About 1-[(3-methylpyrrolidin-3-yl)methyl]-4-pyridazin-3-yl-1,4-diazepane;hydrochloride

1-[(3-methylpyrrolidin-3-yl)methyl]-4-pyridazin-3-yl-1,4-diazepane;hydrochloride (PubChem CID 120900106) has the molecular formula C15H26ClN5 and a molecular weight of 311.86 g/mol. Its IUPAC name is 1-[(3-methylpyrrolidin-3-yl)methyl]-4-pyridazin-3-yl-1,4-diazepane;hydrochloride.

Molecular Properties

Compound Name1-[(3-methylpyrrolidin-3-yl)methyl]-4-pyridazin-3-yl-1,4-diazepane;hydrochloride
PubChem CID120900106
Molecular FormulaC15H26ClN5
Molecular Weight311.86 g/mol
Exact Mass311.19
IUPAC Name1-[(3-methylpyrrolidin-3-yl)methyl]-4-pyridazin-3-yl-1,4-diazepane;hydrochloride
SMILESCC1(CN2CCCN(c3cccnn3)CC2)CCNC1.Cl
InChIInChI=1S/C15H25N5.ClH/c1-15(5-7-16-12-15)13-19-8-3-9-20(11-10-19)14-4-2-6-17-18-14;/h2,4,6,16H,3,5,7-13H2,1H3;1H
InChIKeyZFGQGFUEPGJKAR-UHFFFAOYSA-N
XLogP1.41
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.86
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-methylpyrrolidin-3-yl)methyl]-4-pyridazin-3-yl-1,4-diazepane;hydrochloride?
The IUPAC name of 1-[(3-methylpyrrolidin-3-yl)methyl]-4-pyridazin-3-yl-1,4-diazepane;hydrochloride (CID 120900106) is 1-[(3-methylpyrrolidin-3-yl)methyl]-4-pyridazin-3-yl-1,4-diazepane;hydrochloride.
What is the SMILES notation for 1-[(3-methylpyrrolidin-3-yl)methyl]-4-pyridazin-3-yl-1,4-diazepane;hydrochloride?
The canonical SMILES for 1-[(3-methylpyrrolidin-3-yl)methyl]-4-pyridazin-3-yl-1,4-diazepane;hydrochloride is CC1(CN2CCCN(c3cccnn3)CC2)CCNC1.Cl.
What is the InChIKey of 1-[(3-methylpyrrolidin-3-yl)methyl]-4-pyridazin-3-yl-1,4-diazepane;hydrochloride?
The InChIKey is ZFGQGFUEPGJKAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5.ClH/c1-15(5-7-16-12-15)13-19-8-3-9-20(11-10-19)14-4-2-6-17-18-14;/h2,4,6,16H,3,5,7-13H2,1H3;1H.
What are the key properties of 1-[(3-methylpyrrolidin-3-yl)methyl]-4-pyridazin-3-yl-1,4-diazepane;hydrochloride?
1-[(3-methylpyrrolidin-3-yl)methyl]-4-pyridazin-3-yl-1,4-diazepane;hydrochloride has a molecular weight of 311.86 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methylpyrrolidin-3-yl)methyl]-4-pyridazin-3-yl-1,4-diazepane;hydrochloride is sourced from PubChem (CID 120900106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).