5-methyl-N-[(4-methylpiperidin-4-yl)methyl]pyridazin-3-amine

C12H20N4 — CID 106550265

IUPAC5-methyl-N-[(4-methylpiperidin-4-yl)methyl]pyridazin-3-amine
SMILESCc1cnnc(NCC2(C)CCNCC2)c1
InChIInChI=1S/C12H20N4/c1-10-7-11(16-15-8-10)14-9-12(2)3-5-13-6-4-12/h7-8,13H,3-6,9H2,1-2H3,(H,14,16)
InChIKeySIXSMSMQNUHCKB-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.59
Rot. Bonds3

About 5-methyl-N-[(4-methylpiperidin-4-yl)methyl]pyridazin-3-amine

5-methyl-N-[(4-methylpiperidin-4-yl)methyl]pyridazin-3-amine (PubChem CID 106550265) has the molecular formula C12H20N4 and a molecular weight of 220.32 g/mol. Its IUPAC name is 5-methyl-N-[(4-methylpiperidin-4-yl)methyl]pyridazin-3-amine.

Molecular Properties

Compound Name5-methyl-N-[(4-methylpiperidin-4-yl)methyl]pyridazin-3-amine
PubChem CID106550265
Molecular FormulaC12H20N4
Molecular Weight220.32 g/mol
Exact Mass220.17
IUPAC Name5-methyl-N-[(4-methylpiperidin-4-yl)methyl]pyridazin-3-amine
SMILESCc1cnnc(NCC2(C)CCNCC2)c1
InChIInChI=1S/C12H20N4/c1-10-7-11(16-15-8-10)14-9-12(2)3-5-13-6-4-12/h7-8,13H,3-6,9H2,1-2H3,(H,14,16)
InChIKeySIXSMSMQNUHCKB-UHFFFAOYSA-N
XLogP1.59
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[(4-methylpiperidin-4-yl)methyl]pyridazin-3-amine?
The IUPAC name of 5-methyl-N-[(4-methylpiperidin-4-yl)methyl]pyridazin-3-amine (CID 106550265) is 5-methyl-N-[(4-methylpiperidin-4-yl)methyl]pyridazin-3-amine.
What is the SMILES notation for 5-methyl-N-[(4-methylpiperidin-4-yl)methyl]pyridazin-3-amine?
The canonical SMILES for 5-methyl-N-[(4-methylpiperidin-4-yl)methyl]pyridazin-3-amine is Cc1cnnc(NCC2(C)CCNCC2)c1.
What is the InChIKey of 5-methyl-N-[(4-methylpiperidin-4-yl)methyl]pyridazin-3-amine?
The InChIKey is SIXSMSMQNUHCKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4/c1-10-7-11(16-15-8-10)14-9-12(2)3-5-13-6-4-12/h7-8,13H,3-6,9H2,1-2H3,(H,14,16).
What are the key properties of 5-methyl-N-[(4-methylpiperidin-4-yl)methyl]pyridazin-3-amine?
5-methyl-N-[(4-methylpiperidin-4-yl)methyl]pyridazin-3-amine has a molecular weight of 220.32 g/mol, XLogP of 1.59, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[(4-methylpiperidin-4-yl)methyl]pyridazin-3-amine is sourced from PubChem (CID 106550265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).