N,6-dimethyl-N-[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-4-yl]pyridazin-3-amine;hydrochloride

C17H30ClN5 — CID 120903619

IUPACN,6-dimethyl-N-[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-4-yl]pyridazin-3-amine;hydrochloride
SMILESCc1ccc(N(C)C2CCN(CC3(C)CCNC3)CC2)nn1.Cl
InChIInChI=1S/C17H29N5.ClH/c1-14-4-5-16(20-19-14)21(3)15-6-10-22(11-7-15)13-17(2)8-9-18-12-17;/h4-5,15,18H,6-13H2,1-3H3;1H
InChIKeyLELTXQANTIMMSU-UHFFFAOYSA-N
MW339.92 g/mol
LogP2.11
Rot. Bonds4

About N,6-dimethyl-N-[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-4-yl]pyridazin-3-amine;hydrochloride

N,6-dimethyl-N-[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-4-yl]pyridazin-3-amine;hydrochloride (PubChem CID 120903619) has the molecular formula C17H30ClN5 and a molecular weight of 339.92 g/mol. Its IUPAC name is N,6-dimethyl-N-[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-4-yl]pyridazin-3-amine;hydrochloride.

Molecular Properties

Compound NameN,6-dimethyl-N-[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-4-yl]pyridazin-3-amine;hydrochloride
PubChem CID120903619
Molecular FormulaC17H30ClN5
Molecular Weight339.92 g/mol
Exact Mass339.22
IUPAC NameN,6-dimethyl-N-[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-4-yl]pyridazin-3-amine;hydrochloride
SMILESCc1ccc(N(C)C2CCN(CC3(C)CCNC3)CC2)nn1.Cl
InChIInChI=1S/C17H29N5.ClH/c1-14-4-5-16(20-19-14)21(3)15-6-10-22(11-7-15)13-17(2)8-9-18-12-17;/h4-5,15,18H,6-13H2,1-3H3;1H
InChIKeyLELTXQANTIMMSU-UHFFFAOYSA-N
XLogP2.11
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.92
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,6-dimethyl-N-[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-4-yl]pyridazin-3-amine;hydrochloride?
The IUPAC name of N,6-dimethyl-N-[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-4-yl]pyridazin-3-amine;hydrochloride (CID 120903619) is N,6-dimethyl-N-[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-4-yl]pyridazin-3-amine;hydrochloride.
What is the SMILES notation for N,6-dimethyl-N-[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-4-yl]pyridazin-3-amine;hydrochloride?
The canonical SMILES for N,6-dimethyl-N-[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-4-yl]pyridazin-3-amine;hydrochloride is Cc1ccc(N(C)C2CCN(CC3(C)CCNC3)CC2)nn1.Cl.
What is the InChIKey of N,6-dimethyl-N-[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-4-yl]pyridazin-3-amine;hydrochloride?
The InChIKey is LELTXQANTIMMSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N5.ClH/c1-14-4-5-16(20-19-14)21(3)15-6-10-22(11-7-15)13-17(2)8-9-18-12-17;/h4-5,15,18H,6-13H2,1-3H3;1H.
What are the key properties of N,6-dimethyl-N-[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-4-yl]pyridazin-3-amine;hydrochloride?
N,6-dimethyl-N-[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-4-yl]pyridazin-3-amine;hydrochloride has a molecular weight of 339.92 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,6-dimethyl-N-[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-4-yl]pyridazin-3-amine;hydrochloride is sourced from PubChem (CID 120903619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).