6-(1-methylpiperidin-3-yl)pyridazine-3,4-diamine

C10H17N5 — CID 117105593

IUPAC6-(1-methylpiperidin-3-yl)pyridazine-3,4-diamine
SMILESCN1CCCC(c2cc(N)c(N)nn2)C1
InChIInChI=1S/C10H17N5/c1-15-4-2-3-7(6-15)9-5-8(11)10(12)14-13-9/h5,7H,2-4,6H2,1H3,(H2,11,13)(H2,12,14)
InChIKeyJDPWVZUHIWRPSJ-UHFFFAOYSA-N
MW207.28 g/mol
LogP0.45
Rot. Bonds1

About 6-(1-methylpiperidin-3-yl)pyridazine-3,4-diamine

6-(1-methylpiperidin-3-yl)pyridazine-3,4-diamine (PubChem CID 117105593) has the molecular formula C10H17N5 and a molecular weight of 207.28 g/mol. Its IUPAC name is 6-(1-methylpiperidin-3-yl)pyridazine-3,4-diamine.

Molecular Properties

Compound Name6-(1-methylpiperidin-3-yl)pyridazine-3,4-diamine
PubChem CID117105593
Molecular FormulaC10H17N5
Molecular Weight207.28 g/mol
Exact Mass207.15
IUPAC Name6-(1-methylpiperidin-3-yl)pyridazine-3,4-diamine
SMILESCN1CCCC(c2cc(N)c(N)nn2)C1
InChIInChI=1S/C10H17N5/c1-15-4-2-3-7(6-15)9-5-8(11)10(12)14-13-9/h5,7H,2-4,6H2,1H3,(H2,11,13)(H2,12,14)
InChIKeyJDPWVZUHIWRPSJ-UHFFFAOYSA-N
XLogP0.45
TPSA81.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(1-methylpiperidin-3-yl)pyridazine-3,4-diamine?
The IUPAC name of 6-(1-methylpiperidin-3-yl)pyridazine-3,4-diamine (CID 117105593) is 6-(1-methylpiperidin-3-yl)pyridazine-3,4-diamine.
What is the SMILES notation for 6-(1-methylpiperidin-3-yl)pyridazine-3,4-diamine?
The canonical SMILES for 6-(1-methylpiperidin-3-yl)pyridazine-3,4-diamine is CN1CCCC(c2cc(N)c(N)nn2)C1.
What is the InChIKey of 6-(1-methylpiperidin-3-yl)pyridazine-3,4-diamine?
The InChIKey is JDPWVZUHIWRPSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5/c1-15-4-2-3-7(6-15)9-5-8(11)10(12)14-13-9/h5,7H,2-4,6H2,1H3,(H2,11,13)(H2,12,14).
What are the key properties of 6-(1-methylpiperidin-3-yl)pyridazine-3,4-diamine?
6-(1-methylpiperidin-3-yl)pyridazine-3,4-diamine has a molecular weight of 207.28 g/mol, XLogP of 0.45, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-methylpiperidin-3-yl)pyridazine-3,4-diamine is sourced from PubChem (CID 117105593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).