6-amino-4-[(5-methyl-6-propan-2-yl-2-pyridinyl)amino]pyridazine-3-carboxamide

C14H18N6O — CID 126627924

IUPAC6-amino-4-[(5-methyl-6-propan-2-yl-2-pyridinyl)amino]pyridazine-3-carboxamide
SMILESCc1ccc(Nc2cc(N)nnc2C(N)=O)nc1C(C)C
InChIInChI=1S/C14H18N6O/c1-7(2)12-8(3)4-5-11(18-12)17-9-6-10(15)19-20-13(9)14(16)21/h4-7H,1-3H3,(H2,16,21)(H3,15,17,18,19)
InChIKeyGQAXOTKQBADSFJ-UHFFFAOYSA-N
MW286.34 g/mol
LogP1.73
Rot. Bonds4

About 6-amino-4-[(5-methyl-6-propan-2-yl-2-pyridinyl)amino]pyridazine-3-carboxamide

6-amino-4-[(5-methyl-6-propan-2-yl-2-pyridinyl)amino]pyridazine-3-carboxamide (PubChem CID 126627924) has the molecular formula C14H18N6O and a molecular weight of 286.34 g/mol. Its IUPAC name is 6-amino-4-[(5-methyl-6-propan-2-yl-2-pyridinyl)amino]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-amino-4-[(5-methyl-6-propan-2-yl-2-pyridinyl)amino]pyridazine-3-carboxamide
PubChem CID126627924
Molecular FormulaC14H18N6O
Molecular Weight286.34 g/mol
Exact Mass286.15
IUPAC Name6-amino-4-[(5-methyl-6-propan-2-yl-2-pyridinyl)amino]pyridazine-3-carboxamide
SMILESCc1ccc(Nc2cc(N)nnc2C(N)=O)nc1C(C)C
InChIInChI=1S/C14H18N6O/c1-7(2)12-8(3)4-5-11(18-12)17-9-6-10(15)19-20-13(9)14(16)21/h4-7H,1-3H3,(H2,16,21)(H3,15,17,18,19)
InChIKeyGQAXOTKQBADSFJ-UHFFFAOYSA-N
XLogP1.73
TPSA119.81 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-amino-4-[(5-methyl-6-propan-2-yl-2-pyridinyl)amino]pyridazine-3-carboxamide?
The IUPAC name of 6-amino-4-[(5-methyl-6-propan-2-yl-2-pyridinyl)amino]pyridazine-3-carboxamide (CID 126627924) is 6-amino-4-[(5-methyl-6-propan-2-yl-2-pyridinyl)amino]pyridazine-3-carboxamide.
What is the SMILES notation for 6-amino-4-[(5-methyl-6-propan-2-yl-2-pyridinyl)amino]pyridazine-3-carboxamide?
The canonical SMILES for 6-amino-4-[(5-methyl-6-propan-2-yl-2-pyridinyl)amino]pyridazine-3-carboxamide is Cc1ccc(Nc2cc(N)nnc2C(N)=O)nc1C(C)C.
What is the InChIKey of 6-amino-4-[(5-methyl-6-propan-2-yl-2-pyridinyl)amino]pyridazine-3-carboxamide?
The InChIKey is GQAXOTKQBADSFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6O/c1-7(2)12-8(3)4-5-11(18-12)17-9-6-10(15)19-20-13(9)14(16)21/h4-7H,1-3H3,(H2,16,21)(H3,15,17,18,19).
What are the key properties of 6-amino-4-[(5-methyl-6-propan-2-yl-2-pyridinyl)amino]pyridazine-3-carboxamide?
6-amino-4-[(5-methyl-6-propan-2-yl-2-pyridinyl)amino]pyridazine-3-carboxamide has a molecular weight of 286.34 g/mol, XLogP of 1.73, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-4-[(5-methyl-6-propan-2-yl-2-pyridinyl)amino]pyridazine-3-carboxamide is sourced from PubChem (CID 126627924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).