3-ethyl-N,N-bis(2-hydroxyethyl)-6-methylpyridazine-4-carboxamide

C12H19N3O3 — CID 104625733

IUPAC3-ethyl-N,N-bis(2-hydroxyethyl)-6-methylpyridazine-4-carboxamide
SMILESCCc1nnc(C)cc1C(=O)N(CCO)CCO
InChIInChI=1S/C12H19N3O3/c1-3-11-10(8-9(2)13-14-11)12(18)15(4-6-16)5-7-17/h8,16-17H,3-7H2,1-2H3
InChIKeyMPTBLNNUSUKRTD-UHFFFAOYSA-N
MW253.30 g/mol
LogP-0.23
Rot. Bonds6

About 3-ethyl-N,N-bis(2-hydroxyethyl)-6-methylpyridazine-4-carboxamide

3-ethyl-N,N-bis(2-hydroxyethyl)-6-methylpyridazine-4-carboxamide (PubChem CID 104625733) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is 3-ethyl-N,N-bis(2-hydroxyethyl)-6-methylpyridazine-4-carboxamide.

Molecular Properties

Compound Name3-ethyl-N,N-bis(2-hydroxyethyl)-6-methylpyridazine-4-carboxamide
PubChem CID104625733
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Name3-ethyl-N,N-bis(2-hydroxyethyl)-6-methylpyridazine-4-carboxamide
SMILESCCc1nnc(C)cc1C(=O)N(CCO)CCO
InChIInChI=1S/C12H19N3O3/c1-3-11-10(8-9(2)13-14-11)12(18)15(4-6-16)5-7-17/h8,16-17H,3-7H2,1-2H3
InChIKeyMPTBLNNUSUKRTD-UHFFFAOYSA-N
XLogP-0.23
TPSA86.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-ethyl-N-(2-hydroxyethyl)-N,6-dimethylpyridazine-4-carboxamide
CID 104625488
3-[ethyl-(3-ethyl-6-methylpyridazine-4-carbonyl)amino]propanoic acid
CID 104669492
3-ethyl-N-(2-hydroxyethyl)-6-methylpyridazine-4-carboxamide
CID 104624852
N-(2-bromoethyl)-3-ethyl-N,6-dimethylpyridazine-4-carboxamide
CID 104672507
methyl 2-[ethyl-(3-ethyl-6-methylpyridazine-4-carbonyl)amino]acetate
CID 104624340
N-(2-aminoethyl)-3-ethyl-6-methyl-N-(2,2,2-trifluoroethyl)pyridazine-4-carboxamide
CID 107493584
2-[(3-ethyl-6-methylpyridazine-4-carbonyl)-(2-methoxyethyl)amino]acetic acid
CID 104669556
N-(2-chloroethyl)-3-ethyl-6-methyl-N-propan-2-ylpyridazine-4-carboxamide
CID 104672454
3-ethyl-6-methyl-N-[2-(methylamino)ethyl]pyridazine-4-carboxamide
CID 104671356
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3-ethyl-6-methylpyridazine-4-carboxamide
CID 107845640
N-(2-cyanoethyl)-N-cyclopropyl-3-ethyl-6-methylpyridazine-4-carboxamide
CID 104625544
3-ethyl-6-methyl-N-[(2-methylpropan-2-yl)oxy]pyridazine-4-carboxamide
CID 113434261

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N,N-bis(2-hydroxyethyl)-6-methylpyridazine-4-carboxamide?
The IUPAC name of 3-ethyl-N,N-bis(2-hydroxyethyl)-6-methylpyridazine-4-carboxamide (CID 104625733) is 3-ethyl-N,N-bis(2-hydroxyethyl)-6-methylpyridazine-4-carboxamide.
What is the SMILES notation for 3-ethyl-N,N-bis(2-hydroxyethyl)-6-methylpyridazine-4-carboxamide?
The canonical SMILES for 3-ethyl-N,N-bis(2-hydroxyethyl)-6-methylpyridazine-4-carboxamide is CCc1nnc(C)cc1C(=O)N(CCO)CCO.
What is the InChIKey of 3-ethyl-N,N-bis(2-hydroxyethyl)-6-methylpyridazine-4-carboxamide?
The InChIKey is MPTBLNNUSUKRTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-3-11-10(8-9(2)13-14-11)12(18)15(4-6-16)5-7-17/h8,16-17H,3-7H2,1-2H3.
What are the key properties of 3-ethyl-N,N-bis(2-hydroxyethyl)-6-methylpyridazine-4-carboxamide?
3-ethyl-N,N-bis(2-hydroxyethyl)-6-methylpyridazine-4-carboxamide has a molecular weight of 253.30 g/mol, XLogP of -0.23, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N,N-bis(2-hydroxyethyl)-6-methylpyridazine-4-carboxamide is sourced from PubChem (CID 104625733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).