N-(1H-imidazol-2-ylmethyl)-1-(2-methoxyethyl)-N-methyl-6-oxopyridazine-3-carboxamide

C13H17N5O3 — CID 63928485

IUPACN-(1H-imidazol-2-ylmethyl)-1-(2-methoxyethyl)-N-methyl-6-oxopyridazine-3-carboxamide
SMILESCOCCn1nc(C(=O)N(C)Cc2ncc[nH]2)ccc1=O
InChIInChI=1S/C13H17N5O3/c1-17(9-11-14-5-6-15-11)13(20)10-3-4-12(19)18(16-10)7-8-21-2/h3-6H,7-9H2,1-2H3,(H,14,15)
InChIKeyGPXSCPBZAPWCFD-UHFFFAOYSA-N
MW291.31 g/mol
LogP-0.12
Rot. Bonds6

About N-(1H-imidazol-2-ylmethyl)-1-(2-methoxyethyl)-N-methyl-6-oxopyridazine-3-carboxamide

N-(1H-imidazol-2-ylmethyl)-1-(2-methoxyethyl)-N-methyl-6-oxopyridazine-3-carboxamide (PubChem CID 63928485) has the molecular formula C13H17N5O3 and a molecular weight of 291.31 g/mol. Its IUPAC name is N-(1H-imidazol-2-ylmethyl)-1-(2-methoxyethyl)-N-methyl-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(1H-imidazol-2-ylmethyl)-1-(2-methoxyethyl)-N-methyl-6-oxopyridazine-3-carboxamide
PubChem CID63928485
Molecular FormulaC13H17N5O3
Molecular Weight291.31 g/mol
Exact Mass291.13
IUPAC NameN-(1H-imidazol-2-ylmethyl)-1-(2-methoxyethyl)-N-methyl-6-oxopyridazine-3-carboxamide
SMILESCOCCn1nc(C(=O)N(C)Cc2ncc[nH]2)ccc1=O
InChIInChI=1S/C13H17N5O3/c1-17(9-11-14-5-6-15-11)13(20)10-3-4-12(19)18(16-10)7-8-21-2/h3-6H,7-9H2,1-2H3,(H,14,15)
InChIKeyGPXSCPBZAPWCFD-UHFFFAOYSA-N
XLogP-0.12
TPSA93.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 5-0.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-2-ylmethyl)-1-(2-methoxyethyl)-N-methyl-6-oxopyridazine-3-carboxamide?
The IUPAC name of N-(1H-imidazol-2-ylmethyl)-1-(2-methoxyethyl)-N-methyl-6-oxopyridazine-3-carboxamide (CID 63928485) is N-(1H-imidazol-2-ylmethyl)-1-(2-methoxyethyl)-N-methyl-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for N-(1H-imidazol-2-ylmethyl)-1-(2-methoxyethyl)-N-methyl-6-oxopyridazine-3-carboxamide?
The canonical SMILES for N-(1H-imidazol-2-ylmethyl)-1-(2-methoxyethyl)-N-methyl-6-oxopyridazine-3-carboxamide is COCCn1nc(C(=O)N(C)Cc2ncc[nH]2)ccc1=O.
What is the InChIKey of N-(1H-imidazol-2-ylmethyl)-1-(2-methoxyethyl)-N-methyl-6-oxopyridazine-3-carboxamide?
The InChIKey is GPXSCPBZAPWCFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O3/c1-17(9-11-14-5-6-15-11)13(20)10-3-4-12(19)18(16-10)7-8-21-2/h3-6H,7-9H2,1-2H3,(H,14,15).
What are the key properties of N-(1H-imidazol-2-ylmethyl)-1-(2-methoxyethyl)-N-methyl-6-oxopyridazine-3-carboxamide?
N-(1H-imidazol-2-ylmethyl)-1-(2-methoxyethyl)-N-methyl-6-oxopyridazine-3-carboxamide has a molecular weight of 291.31 g/mol, XLogP of -0.12, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-2-ylmethyl)-1-(2-methoxyethyl)-N-methyl-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 63928485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).