N,3,6-trimethyl-N-(2-piperazin-1-ylethyl)pyridazine-4-carboxamide

C14H23N5O — CID 104671415

IUPACN,3,6-trimethyl-N-(2-piperazin-1-ylethyl)pyridazine-4-carboxamide
SMILESCc1cc(C(=O)N(C)CCN2CCNCC2)c(C)nn1
InChIInChI=1S/C14H23N5O/c1-11-10-13(12(2)17-16-11)14(20)18(3)8-9-19-6-4-15-5-7-19/h10,15H,4-9H2,1-3H3
InChIKeyQHXQTXMYQDNIDQ-UHFFFAOYSA-N
MW277.37 g/mol
LogP0.07
Rot. Bonds4

About N,3,6-trimethyl-N-(2-piperazin-1-ylethyl)pyridazine-4-carboxamide

N,3,6-trimethyl-N-(2-piperazin-1-ylethyl)pyridazine-4-carboxamide (PubChem CID 104671415) has the molecular formula C14H23N5O and a molecular weight of 277.37 g/mol. Its IUPAC name is N,3,6-trimethyl-N-(2-piperazin-1-ylethyl)pyridazine-4-carboxamide.

Molecular Properties

Compound NameN,3,6-trimethyl-N-(2-piperazin-1-ylethyl)pyridazine-4-carboxamide
PubChem CID104671415
Molecular FormulaC14H23N5O
Molecular Weight277.37 g/mol
Exact Mass277.19
IUPAC NameN,3,6-trimethyl-N-(2-piperazin-1-ylethyl)pyridazine-4-carboxamide
SMILESCc1cc(C(=O)N(C)CCN2CCNCC2)c(C)nn1
InChIInChI=1S/C14H23N5O/c1-11-10-13(12(2)17-16-11)14(20)18(3)8-9-19-6-4-15-5-7-19/h10,15H,4-9H2,1-3H3
InChIKeyQHXQTXMYQDNIDQ-UHFFFAOYSA-N
XLogP0.07
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,3,6-trimethyl-N-(2-oxo-2-piperazin-1-ylethyl)pyridazine-4-carboxamide
CID 104671306
2,4-dihydroxy-N-methyl-N-(2-piperazin-1-ylethyl)benzamide
CID 63265416
2-fluoro-N,3-dimethyl-N-(2-piperazin-1-ylethyl)benzamide
CID 81477116
2,3-dihydroxy-N-methyl-N-(2-piperazin-1-ylethyl)benzamide
CID 114345025
N,3,6-trimethyl-N-[2-(methylamino)ethyl]pyridazine-4-carboxamide
CID 104671510
N-methyl-N-(2-piperazin-1-ylethyl)pyridine-4-carboxamide
CID 63265506
2,3-dichloro-N-methyl-N-(2-piperazin-1-ylethyl)benzamide
CID 63265748
N-methyl-N-(2-piperazin-1-ylethyl)benzamide
CID 63265460
N-methyl-2-oxo-N-(2-piperazin-1-ylethyl)-1H-pyridine-3-carboxamide
CID 55168297
3-chloro-N-methyl-N-(2-piperazin-1-ylethyl)benzamide
CID 63265586
N,2-dimethyl-N-(2-piperazin-1-ylethyl)propanamide
CID 63265503
N-methyl-N-(2-piperazin-1-ylethyl)-1-benzothiophene-3-carboxamide
CID 63265449

Frequently Asked Questions

What is the IUPAC name of N,3,6-trimethyl-N-(2-piperazin-1-ylethyl)pyridazine-4-carboxamide?
The IUPAC name of N,3,6-trimethyl-N-(2-piperazin-1-ylethyl)pyridazine-4-carboxamide (CID 104671415) is N,3,6-trimethyl-N-(2-piperazin-1-ylethyl)pyridazine-4-carboxamide.
What is the SMILES notation for N,3,6-trimethyl-N-(2-piperazin-1-ylethyl)pyridazine-4-carboxamide?
The canonical SMILES for N,3,6-trimethyl-N-(2-piperazin-1-ylethyl)pyridazine-4-carboxamide is Cc1cc(C(=O)N(C)CCN2CCNCC2)c(C)nn1.
What is the InChIKey of N,3,6-trimethyl-N-(2-piperazin-1-ylethyl)pyridazine-4-carboxamide?
The InChIKey is QHXQTXMYQDNIDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O/c1-11-10-13(12(2)17-16-11)14(20)18(3)8-9-19-6-4-15-5-7-19/h10,15H,4-9H2,1-3H3.
What are the key properties of N,3,6-trimethyl-N-(2-piperazin-1-ylethyl)pyridazine-4-carboxamide?
N,3,6-trimethyl-N-(2-piperazin-1-ylethyl)pyridazine-4-carboxamide has a molecular weight of 277.37 g/mol, XLogP of 0.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,3,6-trimethyl-N-(2-piperazin-1-ylethyl)pyridazine-4-carboxamide is sourced from PubChem (CID 104671415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).