6-cyclopropyl-3-[(5-methyl-1H-pyrazol-4-yl)amino]pyridazine-4-carbonitrile

C12H12N6 — CID 167910057

IUPAC6-cyclopropyl-3-[(5-methyl-1H-pyrazol-4-yl)amino]pyridazine-4-carbonitrile
SMILESCc1[nH]ncc1Nc1nnc(C2CC2)cc1C#N
InChIInChI=1S/C12H12N6/c1-7-11(6-14-16-7)15-12-9(5-13)4-10(17-18-12)8-2-3-8/h4,6,8H,2-3H2,1H3,(H,14,16)(H,15,18)
InChIKeyLQRGDEQHTVBHMW-UHFFFAOYSA-N
MW240.27 g/mol
LogP2.00
Rot. Bonds3

About 6-cyclopropyl-3-[(5-methyl-1H-pyrazol-4-yl)amino]pyridazine-4-carbonitrile

6-cyclopropyl-3-[(5-methyl-1H-pyrazol-4-yl)amino]pyridazine-4-carbonitrile (PubChem CID 167910057) has the molecular formula C12H12N6 and a molecular weight of 240.27 g/mol. Its IUPAC name is 6-cyclopropyl-3-[(5-methyl-1H-pyrazol-4-yl)amino]pyridazine-4-carbonitrile.

Molecular Properties

Compound Name6-cyclopropyl-3-[(5-methyl-1H-pyrazol-4-yl)amino]pyridazine-4-carbonitrile
PubChem CID167910057
Molecular FormulaC12H12N6
Molecular Weight240.27 g/mol
Exact Mass240.11
IUPAC Name6-cyclopropyl-3-[(5-methyl-1H-pyrazol-4-yl)amino]pyridazine-4-carbonitrile
SMILESCc1[nH]ncc1Nc1nnc(C2CC2)cc1C#N
InChIInChI=1S/C12H12N6/c1-7-11(6-14-16-7)15-12-9(5-13)4-10(17-18-12)8-2-3-8/h4,6,8H,2-3H2,1H3,(H,14,16)(H,15,18)
InChIKeyLQRGDEQHTVBHMW-UHFFFAOYSA-N
XLogP2.00
TPSA90.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-3-[(5-methyl-1H-pyrazol-4-yl)amino]pyridazine-4-carbonitrile?
The IUPAC name of 6-cyclopropyl-3-[(5-methyl-1H-pyrazol-4-yl)amino]pyridazine-4-carbonitrile (CID 167910057) is 6-cyclopropyl-3-[(5-methyl-1H-pyrazol-4-yl)amino]pyridazine-4-carbonitrile.
What is the SMILES notation for 6-cyclopropyl-3-[(5-methyl-1H-pyrazol-4-yl)amino]pyridazine-4-carbonitrile?
The canonical SMILES for 6-cyclopropyl-3-[(5-methyl-1H-pyrazol-4-yl)amino]pyridazine-4-carbonitrile is Cc1[nH]ncc1Nc1nnc(C2CC2)cc1C#N.
What is the InChIKey of 6-cyclopropyl-3-[(5-methyl-1H-pyrazol-4-yl)amino]pyridazine-4-carbonitrile?
The InChIKey is LQRGDEQHTVBHMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N6/c1-7-11(6-14-16-7)15-12-9(5-13)4-10(17-18-12)8-2-3-8/h4,6,8H,2-3H2,1H3,(H,14,16)(H,15,18).
What are the key properties of 6-cyclopropyl-3-[(5-methyl-1H-pyrazol-4-yl)amino]pyridazine-4-carbonitrile?
6-cyclopropyl-3-[(5-methyl-1H-pyrazol-4-yl)amino]pyridazine-4-carbonitrile has a molecular weight of 240.27 g/mol, XLogP of 2.00, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-3-[(5-methyl-1H-pyrazol-4-yl)amino]pyridazine-4-carbonitrile is sourced from PubChem (CID 167910057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).