N,N-dimethyl-6-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]pyridazin-3-amine

C16H20N8 — CID 155942634

IUPACN,N-dimethyl-6-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]pyridazin-3-amine
SMILESCN(C)c1ccc(N2CCN(c3ncnc4[nH]ccc34)CC2)nn1
InChIInChI=1S/C16H20N8/c1-22(2)13-3-4-14(21-20-13)23-7-9-24(10-8-23)16-12-5-6-17-15(12)18-11-19-16/h3-6,11H,7-10H2,1-2H3,(H,17,18,19)
InChIKeyLOVMZMINWXOORA-UHFFFAOYSA-N
MW324.39 g/mol
LogP1.14
Rot. Bonds3

About N,N-dimethyl-6-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]pyridazin-3-amine

N,N-dimethyl-6-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]pyridazin-3-amine (PubChem CID 155942634) has the molecular formula C16H20N8 and a molecular weight of 324.39 g/mol. Its IUPAC name is N,N-dimethyl-6-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]pyridazin-3-amine.

Molecular Properties

Compound NameN,N-dimethyl-6-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]pyridazin-3-amine
PubChem CID155942634
Molecular FormulaC16H20N8
Molecular Weight324.39 g/mol
Exact Mass324.18
IUPAC NameN,N-dimethyl-6-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]pyridazin-3-amine
SMILESCN(C)c1ccc(N2CCN(c3ncnc4[nH]ccc34)CC2)nn1
InChIInChI=1S/C16H20N8/c1-22(2)13-3-4-14(21-20-13)23-7-9-24(10-8-23)16-12-5-6-17-15(12)18-11-19-16/h3-6,11H,7-10H2,1-2H3,(H,17,18,19)
InChIKeyLOVMZMINWXOORA-UHFFFAOYSA-N
XLogP1.14
TPSA77.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.39
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N,N-dimethyl-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-amine
CID 138993786
6-[4-[6-(dimethylamino)pyrimidin-4-yl]piperazin-1-yl]-N,N-dimethylpyridazin-3-amine
CID 155975901
2-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]quinoline
CID 146091237
4-(4-methylsulfonylpiperazin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine
CID 110873280
4-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-1H-pyrimidin-6-one
CID 171323909
1-methyl-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-2-one
CID 146089042
1-methyl-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-3,5-dihydro-2H-1,4-benzodiazepine
CID 136523184
1-[4-amino-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]ethanone
CID 176575619
4-(4,7-diazaspiro[2.6]nonan-7-yl)-7H-pyrrolo[2,3-d]pyrimidine
CID 66653687
4-(4-cyclopropylsulfonylpiperazin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine
CID 155974317
2-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]acetic acid
CID 172616633
4-[4-(2,5-dimethylpyrrol-1-yl)piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine
CID 146084212

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-6-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]pyridazin-3-amine?
The IUPAC name of N,N-dimethyl-6-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]pyridazin-3-amine (CID 155942634) is N,N-dimethyl-6-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]pyridazin-3-amine.
What is the SMILES notation for N,N-dimethyl-6-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]pyridazin-3-amine?
The canonical SMILES for N,N-dimethyl-6-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]pyridazin-3-amine is CN(C)c1ccc(N2CCN(c3ncnc4[nH]ccc34)CC2)nn1.
What is the InChIKey of N,N-dimethyl-6-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]pyridazin-3-amine?
The InChIKey is LOVMZMINWXOORA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N8/c1-22(2)13-3-4-14(21-20-13)23-7-9-24(10-8-23)16-12-5-6-17-15(12)18-11-19-16/h3-6,11H,7-10H2,1-2H3,(H,17,18,19).
What are the key properties of N,N-dimethyl-6-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]pyridazin-3-amine?
N,N-dimethyl-6-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]pyridazin-3-amine has a molecular weight of 324.39 g/mol, XLogP of 1.14, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-6-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]pyridazin-3-amine is sourced from PubChem (CID 155942634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).