N-(2,3-dihydroxypropyl)-1-methyl-6-oxopyridazine-3-carboxamide

C9H13N3O4 — CID 66176866

IUPACN-(2,3-dihydroxypropyl)-1-methyl-6-oxopyridazine-3-carboxamide
SMILESCn1nc(C(=O)NCC(O)CO)ccc1=O
InChIInChI=1S/C9H13N3O4/c1-12-8(15)3-2-7(11-12)9(16)10-4-6(14)5-13/h2-3,6,13-14H,4-5H2,1H3,(H,10,16)
InChIKeyZCVRWUCPZNHTRB-UHFFFAOYSA-N
MW227.22 g/mol
LogP-2.14
Rot. Bonds4

About N-(2,3-dihydroxypropyl)-1-methyl-6-oxopyridazine-3-carboxamide

N-(2,3-dihydroxypropyl)-1-methyl-6-oxopyridazine-3-carboxamide (PubChem CID 66176866) has the molecular formula C9H13N3O4 and a molecular weight of 227.22 g/mol. Its IUPAC name is N-(2,3-dihydroxypropyl)-1-methyl-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydroxypropyl)-1-methyl-6-oxopyridazine-3-carboxamide
PubChem CID66176866
Molecular FormulaC9H13N3O4
Molecular Weight227.22 g/mol
Exact Mass227.09
IUPAC NameN-(2,3-dihydroxypropyl)-1-methyl-6-oxopyridazine-3-carboxamide
SMILESCn1nc(C(=O)NCC(O)CO)ccc1=O
InChIInChI=1S/C9H13N3O4/c1-12-8(15)3-2-7(11-12)9(16)10-4-6(14)5-13/h2-3,6,13-14H,4-5H2,1H3,(H,10,16)
InChIKeyZCVRWUCPZNHTRB-UHFFFAOYSA-N
XLogP-2.14
TPSA104.45 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.22
LogP ≤ 5-2.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(3,5-dichlorophenyl)-2-hydroxyethyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 111427471
2-[[(1-methyl-6-oxopyridazine-3-carbonyl)amino]methyl]butanoic acid
CID 65219750
N-(4-hydroxybutan-2-yl)-1-methyl-6-oxopyridazine-3-carboxamide
CID 81041108
N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 47082065
N-[(1R)-2-hydroxy-1-phenylethyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 103772693
N-[(2S)-butan-2-yl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 42443185
N-(2-hydroxyethyl)-N,1-dimethyl-6-oxopyridazine-3-carboxamide
CID 60652659
4-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]butanoic acid
CID 43091994
N-(2-hydroxy-4-methylpentyl)-6-oxo-1-propylpyridazine-3-carboxamide
CID 103771085
N-[3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 56821713
1-methyl-6-oxo-N-(2-phenylethyl)pyridazine-3-carboxamide
CID 42161813
N-(4-hydroxy-1-methoxybutan-2-yl)-1-methyl-6-oxopyridazine-3-carboxamide
CID 113264465

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydroxypropyl)-1-methyl-6-oxopyridazine-3-carboxamide?
The IUPAC name of N-(2,3-dihydroxypropyl)-1-methyl-6-oxopyridazine-3-carboxamide (CID 66176866) is N-(2,3-dihydroxypropyl)-1-methyl-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for N-(2,3-dihydroxypropyl)-1-methyl-6-oxopyridazine-3-carboxamide?
The canonical SMILES for N-(2,3-dihydroxypropyl)-1-methyl-6-oxopyridazine-3-carboxamide is Cn1nc(C(=O)NCC(O)CO)ccc1=O.
What is the InChIKey of N-(2,3-dihydroxypropyl)-1-methyl-6-oxopyridazine-3-carboxamide?
The InChIKey is ZCVRWUCPZNHTRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O4/c1-12-8(15)3-2-7(11-12)9(16)10-4-6(14)5-13/h2-3,6,13-14H,4-5H2,1H3,(H,10,16).
What are the key properties of N-(2,3-dihydroxypropyl)-1-methyl-6-oxopyridazine-3-carboxamide?
N-(2,3-dihydroxypropyl)-1-methyl-6-oxopyridazine-3-carboxamide has a molecular weight of 227.22 g/mol, XLogP of -2.14, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydroxypropyl)-1-methyl-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 66176866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).