4-(3-amino-6-chloropyridazin-4-yl)-2,6-diethyl-N,N-dimethylpiperazine-1-carboxamide

C15H25ClN6O — CID 122544290

IUPAC4-(3-amino-6-chloropyridazin-4-yl)-2,6-diethyl-N,N-dimethylpiperazine-1-carboxamide
SMILESCCC1CN(c2cc(Cl)nnc2N)CC(CC)N1C(=O)N(C)C
InChIInChI=1S/C15H25ClN6O/c1-5-10-8-21(12-7-13(16)18-19-14(12)17)9-11(6-2)22(10)15(23)20(3)4/h7,10-11H,5-6,8-9H2,1-4H3,(H2,17,19)
InChIKeyBDQRCQMMIUECOF-UHFFFAOYSA-N
MW340.86 g/mol
LogP2.07
Rot. Bonds3

About 4-(3-amino-6-chloropyridazin-4-yl)-2,6-diethyl-N,N-dimethylpiperazine-1-carboxamide

4-(3-amino-6-chloropyridazin-4-yl)-2,6-diethyl-N,N-dimethylpiperazine-1-carboxamide (PubChem CID 122544290) has the molecular formula C15H25ClN6O and a molecular weight of 340.86 g/mol. Its IUPAC name is 4-(3-amino-6-chloropyridazin-4-yl)-2,6-diethyl-N,N-dimethylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-(3-amino-6-chloropyridazin-4-yl)-2,6-diethyl-N,N-dimethylpiperazine-1-carboxamide
PubChem CID122544290
Molecular FormulaC15H25ClN6O
Molecular Weight340.86 g/mol
Exact Mass340.18
IUPAC Name4-(3-amino-6-chloropyridazin-4-yl)-2,6-diethyl-N,N-dimethylpiperazine-1-carboxamide
SMILESCCC1CN(c2cc(Cl)nnc2N)CC(CC)N1C(=O)N(C)C
InChIInChI=1S/C15H25ClN6O/c1-5-10-8-21(12-7-13(16)18-19-14(12)17)9-11(6-2)22(10)15(23)20(3)4/h7,10-11H,5-6,8-9H2,1-4H3,(H2,17,19)
InChIKeyBDQRCQMMIUECOF-UHFFFAOYSA-N
XLogP2.07
TPSA78.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.86
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3-amino-6-chloropyridazin-4-yl)-2,6-diethyl-N,N-dimethylpiperazine-1-carboxamide?
The IUPAC name of 4-(3-amino-6-chloropyridazin-4-yl)-2,6-diethyl-N,N-dimethylpiperazine-1-carboxamide (CID 122544290) is 4-(3-amino-6-chloropyridazin-4-yl)-2,6-diethyl-N,N-dimethylpiperazine-1-carboxamide.
What is the SMILES notation for 4-(3-amino-6-chloropyridazin-4-yl)-2,6-diethyl-N,N-dimethylpiperazine-1-carboxamide?
The canonical SMILES for 4-(3-amino-6-chloropyridazin-4-yl)-2,6-diethyl-N,N-dimethylpiperazine-1-carboxamide is CCC1CN(c2cc(Cl)nnc2N)CC(CC)N1C(=O)N(C)C.
What is the InChIKey of 4-(3-amino-6-chloropyridazin-4-yl)-2,6-diethyl-N,N-dimethylpiperazine-1-carboxamide?
The InChIKey is BDQRCQMMIUECOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25ClN6O/c1-5-10-8-21(12-7-13(16)18-19-14(12)17)9-11(6-2)22(10)15(23)20(3)4/h7,10-11H,5-6,8-9H2,1-4H3,(H2,17,19).
What are the key properties of 4-(3-amino-6-chloropyridazin-4-yl)-2,6-diethyl-N,N-dimethylpiperazine-1-carboxamide?
4-(3-amino-6-chloropyridazin-4-yl)-2,6-diethyl-N,N-dimethylpiperazine-1-carboxamide has a molecular weight of 340.86 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-amino-6-chloropyridazin-4-yl)-2,6-diethyl-N,N-dimethylpiperazine-1-carboxamide is sourced from PubChem (CID 122544290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).