6-[(1-methylpiperidin-2-yl)methyl]pyridazine-3,4-diamine

C11H19N5 — CID 117106143

IUPAC6-[(1-methylpiperidin-2-yl)methyl]pyridazine-3,4-diamine
SMILESCN1CCCCC1Cc1cc(N)c(N)nn1
InChIInChI=1S/C11H19N5/c1-16-5-3-2-4-9(16)6-8-7-10(12)11(13)15-14-8/h7,9H,2-6H2,1H3,(H2,12,14)(H2,13,15)
InChIKeyMGKXPWYAIRPRDE-UHFFFAOYSA-N
MW221.31 g/mol
LogP0.67
Rot. Bonds2

About 6-[(1-methylpiperidin-2-yl)methyl]pyridazine-3,4-diamine

6-[(1-methylpiperidin-2-yl)methyl]pyridazine-3,4-diamine (PubChem CID 117106143) has the molecular formula C11H19N5 and a molecular weight of 221.31 g/mol. Its IUPAC name is 6-[(1-methylpiperidin-2-yl)methyl]pyridazine-3,4-diamine.

Molecular Properties

Compound Name6-[(1-methylpiperidin-2-yl)methyl]pyridazine-3,4-diamine
PubChem CID117106143
Molecular FormulaC11H19N5
Molecular Weight221.31 g/mol
Exact Mass221.16
IUPAC Name6-[(1-methylpiperidin-2-yl)methyl]pyridazine-3,4-diamine
SMILESCN1CCCCC1Cc1cc(N)c(N)nn1
InChIInChI=1S/C11H19N5/c1-16-5-3-2-4-9(16)6-8-7-10(12)11(13)15-14-8/h7,9H,2-6H2,1H3,(H2,12,14)(H2,13,15)
InChIKeyMGKXPWYAIRPRDE-UHFFFAOYSA-N
XLogP0.67
TPSA81.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.31
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-6-[(1-methylpiperidin-2-yl)methyl]pyridazine
CID 117106139
4-bromo-3-methoxy-6-[(1-methylpiperidin-2-yl)methyl]pyridazine
CID 117106215
5-amino-3-[(1-methylpyrrolidin-2-yl)methyl]-1H-pyridazin-6-one
CID 117106006
4-chloro-6-[(1-ethylpiperidin-2-yl)methyl]pyridazin-3-amine
CID 117106182
1-methyl-3-[(1-methylpiperidin-2-yl)methyl]pyrazole-5-carboxylic acid
CID 115092798
3-methoxy-6-[(1-propan-2-ylpyrrolidin-2-yl)methyl]pyridazin-4-amine
CID 117106079
4-chloro-6-[(1-ethylpyrrolidin-2-yl)methyl]pyridazin-3-amine
CID 117106043
3-[(1-methylpyrrolidin-2-yl)methyl]pyridazine
CID 117105994
5-bromo-3-[(1-methylpiperidin-2-yl)methyl]-1H-pyridazin-6-one
CID 117106161
[2-[(1-methylpiperidin-2-yl)methyl]-1,3-thiazol-4-yl]methanamine
CID 115088816
[1-[[(2R)-1-methylpiperidin-2-yl]methyl]triazol-4-yl]methanamine
CID 129496715
6-(1-ethylpiperidin-2-yl)pyridazine-3,4-diamine
CID 117105899

Frequently Asked Questions

What is the IUPAC name of 6-[(1-methylpiperidin-2-yl)methyl]pyridazine-3,4-diamine?
The IUPAC name of 6-[(1-methylpiperidin-2-yl)methyl]pyridazine-3,4-diamine (CID 117106143) is 6-[(1-methylpiperidin-2-yl)methyl]pyridazine-3,4-diamine.
What is the SMILES notation for 6-[(1-methylpiperidin-2-yl)methyl]pyridazine-3,4-diamine?
The canonical SMILES for 6-[(1-methylpiperidin-2-yl)methyl]pyridazine-3,4-diamine is CN1CCCCC1Cc1cc(N)c(N)nn1.
What is the InChIKey of 6-[(1-methylpiperidin-2-yl)methyl]pyridazine-3,4-diamine?
The InChIKey is MGKXPWYAIRPRDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5/c1-16-5-3-2-4-9(16)6-8-7-10(12)11(13)15-14-8/h7,9H,2-6H2,1H3,(H2,12,14)(H2,13,15).
What are the key properties of 6-[(1-methylpiperidin-2-yl)methyl]pyridazine-3,4-diamine?
6-[(1-methylpiperidin-2-yl)methyl]pyridazine-3,4-diamine has a molecular weight of 221.31 g/mol, XLogP of 0.67, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1-methylpiperidin-2-yl)methyl]pyridazine-3,4-diamine is sourced from PubChem (CID 117106143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).