N-(4-hydroxycyclohexyl)-6-methylpyridazine-3-carboxamide

C12H17N3O2 — CID 118545205

IUPACN-(4-hydroxycyclohexyl)-6-methylpyridazine-3-carboxamide
SMILESCc1ccc(C(=O)NC2CCC(O)CC2)nn1
InChIInChI=1S/C12H17N3O2/c1-8-2-7-11(15-14-8)12(17)13-9-3-5-10(16)6-4-9/h2,7,9-10,16H,3-6H2,1H3,(H,13,17)
InChIKeyQWZGZXDCQKJVKT-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.82
Rot. Bonds2

About N-(4-hydroxycyclohexyl)-6-methylpyridazine-3-carboxamide

N-(4-hydroxycyclohexyl)-6-methylpyridazine-3-carboxamide (PubChem CID 118545205) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is N-(4-hydroxycyclohexyl)-6-methylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxycyclohexyl)-6-methylpyridazine-3-carboxamide
PubChem CID118545205
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC NameN-(4-hydroxycyclohexyl)-6-methylpyridazine-3-carboxamide
SMILESCc1ccc(C(=O)NC2CCC(O)CC2)nn1
InChIInChI=1S/C12H17N3O2/c1-8-2-7-11(15-14-8)12(17)13-9-3-5-10(16)6-4-9/h2,7,9-10,16H,3-6H2,1H3,(H,13,17)
InChIKeyQWZGZXDCQKJVKT-UHFFFAOYSA-N
XLogP0.82
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(6-methylpyridazine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 139013608
6-(ethylamino)-N-(4-hydroxycyclohexyl)pyridazine-3-carboxamide
CID 55042745
N-(4-hydroxycyclohexyl)pyridazine-3-carboxamide
CID 141460592
N-(4-hydroxycyclohexyl)-2,6-dimethylpyridine-3-carboxamide
CID 60924495
N-cyclopropyl-6-phenylpyridazine-3-carboxamide
CID 113200511
N-cyclobutyl-5-methylpyridine-2-carboxamide
CID 170056265
6-chloro-N-cyclobutylpyridazine-3-carboxamide
CID 62416339
N-cyclohexyl-6-methoxypyridazine-3-carboxamide
CID 90509273
6-(cycloheptylamino)-N-cyclopropylpyridazine-3-carboxamide
CID 109110063
N-cycloheptyl-6-methoxypyridazine-3-carboxamide
CID 90509309
N-(4-hydroxycyclohexyl)-2,5-dimethylpyrazole-3-carboxamide
CID 61057507
6-methyl-N-propylpyridazine-3-carboxamide
CID 110705181

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxycyclohexyl)-6-methylpyridazine-3-carboxamide?
The IUPAC name of N-(4-hydroxycyclohexyl)-6-methylpyridazine-3-carboxamide (CID 118545205) is N-(4-hydroxycyclohexyl)-6-methylpyridazine-3-carboxamide.
What is the SMILES notation for N-(4-hydroxycyclohexyl)-6-methylpyridazine-3-carboxamide?
The canonical SMILES for N-(4-hydroxycyclohexyl)-6-methylpyridazine-3-carboxamide is Cc1ccc(C(=O)NC2CCC(O)CC2)nn1.
What is the InChIKey of N-(4-hydroxycyclohexyl)-6-methylpyridazine-3-carboxamide?
The InChIKey is QWZGZXDCQKJVKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-8-2-7-11(15-14-8)12(17)13-9-3-5-10(16)6-4-9/h2,7,9-10,16H,3-6H2,1H3,(H,13,17).
What are the key properties of N-(4-hydroxycyclohexyl)-6-methylpyridazine-3-carboxamide?
N-(4-hydroxycyclohexyl)-6-methylpyridazine-3-carboxamide has a molecular weight of 235.29 g/mol, XLogP of 0.82, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxycyclohexyl)-6-methylpyridazine-3-carboxamide is sourced from PubChem (CID 118545205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).