5,6-dimethyl-3-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]pyridazine-4-carboxamide

C16H21N7O — CID 136525255

IUPAC5,6-dimethyl-3-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]pyridazine-4-carboxamide
SMILESCc1cc(N2CCN(c3nnc(C)c(C)c3C(N)=O)CC2)ncn1
InChIInChI=1S/C16H21N7O/c1-10-8-13(19-9-18-10)22-4-6-23(7-5-22)16-14(15(17)24)11(2)12(3)20-21-16/h8-9H,4-7H2,1-3H3,(H2,17,24)
InChIKeyUTPSEFAJORKUSC-UHFFFAOYSA-N
MW327.39 g/mol
LogP0.62
Rot. Bonds3

About 5,6-dimethyl-3-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]pyridazine-4-carboxamide

5,6-dimethyl-3-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]pyridazine-4-carboxamide (PubChem CID 136525255) has the molecular formula C16H21N7O and a molecular weight of 327.39 g/mol. Its IUPAC name is 5,6-dimethyl-3-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]pyridazine-4-carboxamide.

Molecular Properties

Compound Name5,6-dimethyl-3-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]pyridazine-4-carboxamide
PubChem CID136525255
Molecular FormulaC16H21N7O
Molecular Weight327.39 g/mol
Exact Mass327.18
IUPAC Name5,6-dimethyl-3-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]pyridazine-4-carboxamide
SMILESCc1cc(N2CCN(c3nnc(C)c(C)c3C(N)=O)CC2)ncn1
InChIInChI=1S/C16H21N7O/c1-10-8-13(19-9-18-10)22-4-6-23(7-5-22)16-14(15(17)24)11(2)12(3)20-21-16/h8-9H,4-7H2,1-3H3,(H2,17,24)
InChIKeyUTPSEFAJORKUSC-UHFFFAOYSA-N
XLogP0.62
TPSA101.13 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-3-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]pyridazine-4-carboxamide?
The IUPAC name of 5,6-dimethyl-3-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]pyridazine-4-carboxamide (CID 136525255) is 5,6-dimethyl-3-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]pyridazine-4-carboxamide.
What is the SMILES notation for 5,6-dimethyl-3-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]pyridazine-4-carboxamide?
The canonical SMILES for 5,6-dimethyl-3-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]pyridazine-4-carboxamide is Cc1cc(N2CCN(c3nnc(C)c(C)c3C(N)=O)CC2)ncn1.
What is the InChIKey of 5,6-dimethyl-3-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]pyridazine-4-carboxamide?
The InChIKey is UTPSEFAJORKUSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N7O/c1-10-8-13(19-9-18-10)22-4-6-23(7-5-22)16-14(15(17)24)11(2)12(3)20-21-16/h8-9H,4-7H2,1-3H3,(H2,17,24).
What are the key properties of 5,6-dimethyl-3-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]pyridazine-4-carboxamide?
5,6-dimethyl-3-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]pyridazine-4-carboxamide has a molecular weight of 327.39 g/mol, XLogP of 0.62, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-3-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]pyridazine-4-carboxamide is sourced from PubChem (CID 136525255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).