6-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridazin-3-amine

C11H15N5 — CID 106105393

IUPAC6-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridazin-3-amine
SMILESCc1ccc(NCCc2ccn(C)n2)nn1
InChIInChI=1S/C11H15N5/c1-9-3-4-11(14-13-9)12-7-5-10-6-8-16(2)15-10/h3-4,6,8H,5,7H2,1-2H3,(H,12,14)
InChIKeyNCRORRSFERIMLB-UHFFFAOYSA-N
MW217.28 g/mol
LogP1.17
Rot. Bonds4

About 6-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridazin-3-amine

6-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridazin-3-amine (PubChem CID 106105393) has the molecular formula C11H15N5 and a molecular weight of 217.28 g/mol. Its IUPAC name is 6-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridazin-3-amine.

Molecular Properties

Compound Name6-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridazin-3-amine
PubChem CID106105393
Molecular FormulaC11H15N5
Molecular Weight217.28 g/mol
Exact Mass217.13
IUPAC Name6-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridazin-3-amine
SMILESCc1ccc(NCCc2ccn(C)n2)nn1
InChIInChI=1S/C11H15N5/c1-9-3-4-11(14-13-9)12-7-5-10-6-8-16(2)15-10/h3-4,6,8H,5,7H2,1-2H3,(H,12,14)
InChIKeyNCRORRSFERIMLB-UHFFFAOYSA-N
XLogP1.17
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.28
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridazin-3-amine?
The IUPAC name of 6-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridazin-3-amine (CID 106105393) is 6-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridazin-3-amine.
What is the SMILES notation for 6-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridazin-3-amine?
The canonical SMILES for 6-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridazin-3-amine is Cc1ccc(NCCc2ccn(C)n2)nn1.
What is the InChIKey of 6-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridazin-3-amine?
The InChIKey is NCRORRSFERIMLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5/c1-9-3-4-11(14-13-9)12-7-5-10-6-8-16(2)15-10/h3-4,6,8H,5,7H2,1-2H3,(H,12,14).
What are the key properties of 6-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridazin-3-amine?
6-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridazin-3-amine has a molecular weight of 217.28 g/mol, XLogP of 1.17, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridazin-3-amine is sourced from PubChem (CID 106105393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).