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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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).