4-(3-methylbutyl)-6-piperazin-1-ylpyridazine-3-carboxamide

C14H23N5O — CID 172799928

IUPAC4-(3-methylbutyl)-6-piperazin-1-ylpyridazine-3-carboxamide
SMILESCC(C)CCc1cc(N2CCNCC2)nnc1C(N)=O
InChIInChI=1S/C14H23N5O/c1-10(2)3-4-11-9-12(17-18-13(11)14(15)20)19-7-5-16-6-8-19/h9-10,16H,3-8H2,1-2H3,(H2,15,20)
InChIKeyQSLFCNAUQYUYCI-UHFFFAOYSA-N
MW277.37 g/mol
LogP0.57
Rot. Bonds5

About 4-(3-methylbutyl)-6-piperazin-1-ylpyridazine-3-carboxamide

4-(3-methylbutyl)-6-piperazin-1-ylpyridazine-3-carboxamide (PubChem CID 172799928) has the molecular formula C14H23N5O and a molecular weight of 277.37 g/mol. Its IUPAC name is 4-(3-methylbutyl)-6-piperazin-1-ylpyridazine-3-carboxamide.

Molecular Properties

Compound Name4-(3-methylbutyl)-6-piperazin-1-ylpyridazine-3-carboxamide
PubChem CID172799928
Molecular FormulaC14H23N5O
Molecular Weight277.37 g/mol
Exact Mass277.19
IUPAC Name4-(3-methylbutyl)-6-piperazin-1-ylpyridazine-3-carboxamide
SMILESCC(C)CCc1cc(N2CCNCC2)nnc1C(N)=O
InChIInChI=1S/C14H23N5O/c1-10(2)3-4-11-9-12(17-18-13(11)14(15)20)19-7-5-16-6-8-19/h9-10,16H,3-8H2,1-2H3,(H2,15,20)
InChIKeyQSLFCNAUQYUYCI-UHFFFAOYSA-N
XLogP0.57
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3,4-dimethyl-5-piperazin-1-ylpyridine-2-carboxamide
CID 175207063
3-amino-6-(1,4-diazepan-1-yl)-4-propylthieno[2,3-b]pyridine-2-carboxamide
CID 23400922
1-[6-(2-methylpropyl)pyridazin-3-yl]-1,4-diazepane
CID 116972621
N-methyl-5-piperazin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methylpropanoic acid
CID 162266155
2,5-dimethyl-6-piperazin-1-ylpyridine-3-carboxamide
CID 177356020
4-methyl-1-piperazin-1-ylpentan-1-one
CID 20596588
3-(2-chloroethyl)-4-piperazin-1-ylbenzamide
CID 91535431
2,6-dimethyl-4-piperazin-1-ylpyridine-3-carboxamide
CID 81050845
acetamide;N-(3-fluoro-4-piperazin-1-ylphenyl)-3-methylbutanamide
CID 143923829
2-(4-piperazin-1-ylphenyl)propanamide
CID 178004680
2-amino-6-piperazin-1-ylpyrimidine-4-carboxylic acid
CID 165494645
ethane;4-methyl-1-piperazin-1-ylpentan-1-one
CID 143763421

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylbutyl)-6-piperazin-1-ylpyridazine-3-carboxamide?
The IUPAC name of 4-(3-methylbutyl)-6-piperazin-1-ylpyridazine-3-carboxamide (CID 172799928) is 4-(3-methylbutyl)-6-piperazin-1-ylpyridazine-3-carboxamide.
What is the SMILES notation for 4-(3-methylbutyl)-6-piperazin-1-ylpyridazine-3-carboxamide?
The canonical SMILES for 4-(3-methylbutyl)-6-piperazin-1-ylpyridazine-3-carboxamide is CC(C)CCc1cc(N2CCNCC2)nnc1C(N)=O.
What is the InChIKey of 4-(3-methylbutyl)-6-piperazin-1-ylpyridazine-3-carboxamide?
The InChIKey is QSLFCNAUQYUYCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O/c1-10(2)3-4-11-9-12(17-18-13(11)14(15)20)19-7-5-16-6-8-19/h9-10,16H,3-8H2,1-2H3,(H2,15,20).
What are the key properties of 4-(3-methylbutyl)-6-piperazin-1-ylpyridazine-3-carboxamide?
4-(3-methylbutyl)-6-piperazin-1-ylpyridazine-3-carboxamide has a molecular weight of 277.37 g/mol, XLogP of 0.57, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylbutyl)-6-piperazin-1-ylpyridazine-3-carboxamide is sourced from PubChem (CID 172799928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).