6-(1-methylpyrazol-4-yl)-4,5-dihydropyridazin-3-amine

C8H11N5 — CID 64690324

IUPAC6-(1-methylpyrazol-4-yl)-4,5-dihydropyridazin-3-amine
SMILESCn1cc(C2=NN=C(N)CC2)cn1
InChIInChI=1S/C8H11N5/c1-13-5-6(4-10-13)7-2-3-8(9)12-11-7/h4-5H,2-3H2,1H3,(H2,9,12)
InChIKeyPNKNPCWKCKPRON-UHFFFAOYSA-N
MW177.21 g/mol
LogP0.28
Rot. Bonds1

About 6-(1-methylpyrazol-4-yl)-4,5-dihydropyridazin-3-amine

6-(1-methylpyrazol-4-yl)-4,5-dihydropyridazin-3-amine (PubChem CID 64690324) has the molecular formula C8H11N5 and a molecular weight of 177.21 g/mol. Its IUPAC name is 6-(1-methylpyrazol-4-yl)-4,5-dihydropyridazin-3-amine.

Molecular Properties

Compound Name6-(1-methylpyrazol-4-yl)-4,5-dihydropyridazin-3-amine
PubChem CID64690324
Molecular FormulaC8H11N5
Molecular Weight177.21 g/mol
Exact Mass177.10
IUPAC Name6-(1-methylpyrazol-4-yl)-4,5-dihydropyridazin-3-amine
SMILESCn1cc(C2=NN=C(N)CC2)cn1
InChIInChI=1S/C8H11N5/c1-13-5-6(4-10-13)7-2-3-8(9)12-11-7/h4-5H,2-3H2,1H3,(H2,9,12)
InChIKeyPNKNPCWKCKPRON-UHFFFAOYSA-N
XLogP0.28
TPSA68.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.21
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(1-methylpyrazol-4-yl)-4,5-dihydropyridazin-3-amine?
The IUPAC name of 6-(1-methylpyrazol-4-yl)-4,5-dihydropyridazin-3-amine (CID 64690324) is 6-(1-methylpyrazol-4-yl)-4,5-dihydropyridazin-3-amine.
What is the SMILES notation for 6-(1-methylpyrazol-4-yl)-4,5-dihydropyridazin-3-amine?
The canonical SMILES for 6-(1-methylpyrazol-4-yl)-4,5-dihydropyridazin-3-amine is Cn1cc(C2=NN=C(N)CC2)cn1.
What is the InChIKey of 6-(1-methylpyrazol-4-yl)-4,5-dihydropyridazin-3-amine?
The InChIKey is PNKNPCWKCKPRON-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5/c1-13-5-6(4-10-13)7-2-3-8(9)12-11-7/h4-5H,2-3H2,1H3,(H2,9,12).
What are the key properties of 6-(1-methylpyrazol-4-yl)-4,5-dihydropyridazin-3-amine?
6-(1-methylpyrazol-4-yl)-4,5-dihydropyridazin-3-amine has a molecular weight of 177.21 g/mol, XLogP of 0.28, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-methylpyrazol-4-yl)-4,5-dihydropyridazin-3-amine is sourced from PubChem (CID 64690324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).