N-[(4-hydroxycyclohexyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide

C12H17N3O3 — CID 106121318

IUPACN-[(4-hydroxycyclohexyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide
SMILESO=C(NCC1CCC(O)CC1)c1ccc(=O)[nH]n1
InChIInChI=1S/C12H17N3O3/c16-9-3-1-8(2-4-9)7-13-12(18)10-5-6-11(17)15-14-10/h5-6,8-9,16H,1-4,7H2,(H,13,18)(H,15,17)
InChIKeyJVMGIZHUIVYWJB-UHFFFAOYSA-N
MW251.29 g/mol
LogP0.05
Rot. Bonds3

About N-[(4-hydroxycyclohexyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide

N-[(4-hydroxycyclohexyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide (PubChem CID 106121318) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is N-[(4-hydroxycyclohexyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-hydroxycyclohexyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide
PubChem CID106121318
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC NameN-[(4-hydroxycyclohexyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide
SMILESO=C(NCC1CCC(O)CC1)c1ccc(=O)[nH]n1
InChIInChI=1S/C12H17N3O3/c16-9-3-1-8(2-4-9)7-13-12(18)10-5-6-11(17)15-14-10/h5-6,8-9,16H,1-4,7H2,(H,13,18)(H,15,17)
InChIKeyJVMGIZHUIVYWJB-UHFFFAOYSA-N
XLogP0.05
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 50.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

6-oxo-N-(piperidin-4-ylmethyl)-1H-pyridazine-3-carboxamide
CID 103805411
N-[(3-bromocyclopentyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 106128896
N-[(1-methylpyrrolidin-3-yl)methyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 110746157
N-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 110743227
6-oxo-N-(piperidin-2-ylmethyl)-1H-pyridazine-3-carboxamide
CID 103805977
6-oxo-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]-1H-pyridazine-3-carboxamide
CID 38442945
methyl 2-[[(6-oxo-1H-pyridazine-3-carbonyl)amino]methyl]cyclohexane-1-carboxylate
CID 108745197
6-chloro-N-[(4-hydroxycyclohexyl)methyl]pyridazine-3-carboxamide
CID 114146608
(4-methylphenyl)methyl 4-[[(6-oxo-1H-pyridazine-3-carbonyl)amino]methyl]piperidine-1-carboxylate
CID 10178059
N-[(4-hydroxycyclohexyl)methyl]-6-oxo-1H-pyridine-2-carboxamide
CID 106122042
N-[(4-hydroxycyclohexyl)methyl]-4-oxo-1H-pyridine-3-carboxamide
CID 106124618
N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 37298431

Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxycyclohexyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide?
The IUPAC name of N-[(4-hydroxycyclohexyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide (CID 106121318) is N-[(4-hydroxycyclohexyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-[(4-hydroxycyclohexyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-[(4-hydroxycyclohexyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide is O=C(NCC1CCC(O)CC1)c1ccc(=O)[nH]n1.
What is the InChIKey of N-[(4-hydroxycyclohexyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide?
The InChIKey is JVMGIZHUIVYWJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c16-9-3-1-8(2-4-9)7-13-12(18)10-5-6-11(17)15-14-10/h5-6,8-9,16H,1-4,7H2,(H,13,18)(H,15,17).
What are the key properties of N-[(4-hydroxycyclohexyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide?
N-[(4-hydroxycyclohexyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide has a molecular weight of 251.29 g/mol, XLogP of 0.05, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxycyclohexyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 106121318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).