1-methyl-3-[[6-methyl-5-(morpholin-2-ylmethylamino)pyridazin-3-yl]amino]pyrazole-5-carbonitrile

C15H20N8O — CID 155594753

IUPAC1-methyl-3-[[6-methyl-5-(morpholin-2-ylmethylamino)pyridazin-3-yl]amino]pyrazole-5-carbonitrile
SMILESCc1nnc(Nc2cc(C#N)n(C)n2)cc1NCC1CNCCO1
InChIInChI=1S/C15H20N8O/c1-10-13(18-9-12-8-17-3-4-24-12)6-14(21-20-10)19-15-5-11(7-16)23(2)22-15/h5-6,12,17H,3-4,8-9H2,1-2H3,(H2,18,19,21,22)
InChIKeyBBBVULQXKDMEJG-UHFFFAOYSA-N
MW328.38 g/mol
LogP0.53
Rot. Bonds5

About 1-methyl-3-[[6-methyl-5-(morpholin-2-ylmethylamino)pyridazin-3-yl]amino]pyrazole-5-carbonitrile

1-methyl-3-[[6-methyl-5-(morpholin-2-ylmethylamino)pyridazin-3-yl]amino]pyrazole-5-carbonitrile (PubChem CID 155594753) has the molecular formula C15H20N8O and a molecular weight of 328.38 g/mol. Its IUPAC name is 1-methyl-3-[[6-methyl-5-(morpholin-2-ylmethylamino)pyridazin-3-yl]amino]pyrazole-5-carbonitrile.

Molecular Properties

Compound Name1-methyl-3-[[6-methyl-5-(morpholin-2-ylmethylamino)pyridazin-3-yl]amino]pyrazole-5-carbonitrile
PubChem CID155594753
Molecular FormulaC15H20N8O
Molecular Weight328.38 g/mol
Exact Mass328.18
IUPAC Name1-methyl-3-[[6-methyl-5-(morpholin-2-ylmethylamino)pyridazin-3-yl]amino]pyrazole-5-carbonitrile
SMILESCc1nnc(Nc2cc(C#N)n(C)n2)cc1NCC1CNCCO1
InChIInChI=1S/C15H20N8O/c1-10-13(18-9-12-8-17-3-4-24-12)6-14(21-20-10)19-15-5-11(7-16)23(2)22-15/h5-6,12,17H,3-4,8-9H2,1-2H3,(H2,18,19,21,22)
InChIKeyBBBVULQXKDMEJG-UHFFFAOYSA-N
XLogP0.53
TPSA112.71 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 50.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[[6-methyl-5-(morpholin-2-ylmethylamino)pyridazin-3-yl]amino]pyrazole-5-carbonitrile?
The IUPAC name of 1-methyl-3-[[6-methyl-5-(morpholin-2-ylmethylamino)pyridazin-3-yl]amino]pyrazole-5-carbonitrile (CID 155594753) is 1-methyl-3-[[6-methyl-5-(morpholin-2-ylmethylamino)pyridazin-3-yl]amino]pyrazole-5-carbonitrile.
What is the SMILES notation for 1-methyl-3-[[6-methyl-5-(morpholin-2-ylmethylamino)pyridazin-3-yl]amino]pyrazole-5-carbonitrile?
The canonical SMILES for 1-methyl-3-[[6-methyl-5-(morpholin-2-ylmethylamino)pyridazin-3-yl]amino]pyrazole-5-carbonitrile is Cc1nnc(Nc2cc(C#N)n(C)n2)cc1NCC1CNCCO1.
What is the InChIKey of 1-methyl-3-[[6-methyl-5-(morpholin-2-ylmethylamino)pyridazin-3-yl]amino]pyrazole-5-carbonitrile?
The InChIKey is BBBVULQXKDMEJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N8O/c1-10-13(18-9-12-8-17-3-4-24-12)6-14(21-20-10)19-15-5-11(7-16)23(2)22-15/h5-6,12,17H,3-4,8-9H2,1-2H3,(H2,18,19,21,22).
What are the key properties of 1-methyl-3-[[6-methyl-5-(morpholin-2-ylmethylamino)pyridazin-3-yl]amino]pyrazole-5-carbonitrile?
1-methyl-3-[[6-methyl-5-(morpholin-2-ylmethylamino)pyridazin-3-yl]amino]pyrazole-5-carbonitrile has a molecular weight of 328.38 g/mol, XLogP of 0.53, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[[6-methyl-5-(morpholin-2-ylmethylamino)pyridazin-3-yl]amino]pyrazole-5-carbonitrile is sourced from PubChem (CID 155594753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).