N-[[1-(hydroxymethyl)cyclopropyl]methyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide

C11H17N3O3 — CID 80711491

IUPACN-[[1-(hydroxymethyl)cyclopropyl]methyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
SMILESCN1N=C(C(=O)NCC2(CO)CC2)CCC1=O
InChIInChI=1S/C11H17N3O3/c1-14-9(16)3-2-8(13-14)10(17)12-6-11(7-15)4-5-11/h15H,2-7H2,1H3,(H,12,17)
InChIKeyKDQFLDDDDDBEOM-UHFFFAOYSA-N
MW239.27 g/mol
LogP-0.52
Rot. Bonds4

About N-[[1-(hydroxymethyl)cyclopropyl]methyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide

N-[[1-(hydroxymethyl)cyclopropyl]methyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide (PubChem CID 80711491) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is N-[[1-(hydroxymethyl)cyclopropyl]methyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[[1-(hydroxymethyl)cyclopropyl]methyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
PubChem CID80711491
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC NameN-[[1-(hydroxymethyl)cyclopropyl]methyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
SMILESCN1N=C(C(=O)NCC2(CO)CC2)CCC1=O
InChIInChI=1S/C11H17N3O3/c1-14-9(16)3-2-8(13-14)10(17)12-6-11(7-15)4-5-11/h15H,2-7H2,1H3,(H,12,17)
InChIKeyKDQFLDDDDDBEOM-UHFFFAOYSA-N
XLogP-0.52
TPSA82.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 5-0.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(hydroxymethyl)cyclopropyl]methyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The IUPAC name of N-[[1-(hydroxymethyl)cyclopropyl]methyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide (CID 80711491) is N-[[1-(hydroxymethyl)cyclopropyl]methyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide.
What is the SMILES notation for N-[[1-(hydroxymethyl)cyclopropyl]methyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The canonical SMILES for N-[[1-(hydroxymethyl)cyclopropyl]methyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide is CN1N=C(C(=O)NCC2(CO)CC2)CCC1=O.
What is the InChIKey of N-[[1-(hydroxymethyl)cyclopropyl]methyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The InChIKey is KDQFLDDDDDBEOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-14-9(16)3-2-8(13-14)10(17)12-6-11(7-15)4-5-11/h15H,2-7H2,1H3,(H,12,17).
What are the key properties of N-[[1-(hydroxymethyl)cyclopropyl]methyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide?
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide has a molecular weight of 239.27 g/mol, XLogP of -0.52, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(hydroxymethyl)cyclopropyl]methyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide is sourced from PubChem (CID 80711491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).