2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]cyclohexene-1-carboxylic acid

C15H15N5O3 — CID 139444254

IUPAC2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]cyclohexene-1-carboxylic acid
SMILESO=C(O)C1=C(NC(=O)c2ccc(-n3ccnc3)nn2)CCCC1
InChIInChI=1S/C15H15N5O3/c21-14(17-11-4-2-1-3-10(11)15(22)23)12-5-6-13(19-18-12)20-8-7-16-9-20/h5-9H,1-4H2,(H,17,21)(H,22,23)
InChIKeyBTJYHWAQIASXMI-UHFFFAOYSA-N
MW313.32 g/mol
LogP1.30
Rot. Bonds4

About 2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]cyclohexene-1-carboxylic acid

2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]cyclohexene-1-carboxylic acid (PubChem CID 139444254) has the molecular formula C15H15N5O3 and a molecular weight of 313.32 g/mol. Its IUPAC name is 2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]cyclohexene-1-carboxylic acid.

Molecular Properties

Compound Name2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]cyclohexene-1-carboxylic acid
PubChem CID139444254
Molecular FormulaC15H15N5O3
Molecular Weight313.32 g/mol
Exact Mass313.12
IUPAC Name2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]cyclohexene-1-carboxylic acid
SMILESO=C(O)C1=C(NC(=O)c2ccc(-n3ccnc3)nn2)CCCC1
InChIInChI=1S/C15H15N5O3/c21-14(17-11-4-2-1-3-10(11)15(22)23)12-5-6-13(19-18-12)20-8-7-16-9-20/h5-9H,1-4H2,(H,17,21)(H,22,23)
InChIKeyBTJYHWAQIASXMI-UHFFFAOYSA-N
XLogP1.30
TPSA110.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.32
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]cyclopentene-1-carboxylate
CID 139444570
6-imidazol-1-yl-N-pyridin-3-ylpyridazine-3-carboxamide
CID 121114046
N-(3,5-dimethylphenyl)-6-imidazol-1-ylpyridazine-3-carboxamide
CID 121114061
N-(4-acetylphenyl)-6-imidazol-1-ylpyridazine-3-carboxamide
CID 121114037
6-imidazol-1-yl-N-(2-methyl-1,3-benzothiazol-5-yl)pyridazine-3-carboxamide
CID 71791752
N-(3-fluoro-4-methylphenyl)-6-imidazol-1-ylpyridazine-3-carboxamide
CID 121114084
N-(4,5-dimethyl-1,3-thiazol-2-yl)-6-imidazol-1-ylpyridazine-3-carboxamide
CID 71791758
N-(cyclobutylmethyl)-6-imidazol-1-ylpyridazine-3-carboxamide
CID 51107519
N-(3-chloro-4-methoxyphenyl)-6-imidazol-1-ylpyridazine-3-carboxamide
CID 121114186
methyl 3-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]pyridine-4-carboxylate
CID 156578747
4-[2-[4-carboxy-2-fluoro-5-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]phenyl]ethyl]-5-fluoro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoic acid
CID 167013408
2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-5-(trifluoromethyl)benzoic acid
CID 139444181

Frequently Asked Questions

What is the IUPAC name of 2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]cyclohexene-1-carboxylic acid?
The IUPAC name of 2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]cyclohexene-1-carboxylic acid (CID 139444254) is 2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]cyclohexene-1-carboxylic acid.
What is the SMILES notation for 2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]cyclohexene-1-carboxylic acid?
The canonical SMILES for 2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]cyclohexene-1-carboxylic acid is O=C(O)C1=C(NC(=O)c2ccc(-n3ccnc3)nn2)CCCC1.
What is the InChIKey of 2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]cyclohexene-1-carboxylic acid?
The InChIKey is BTJYHWAQIASXMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O3/c21-14(17-11-4-2-1-3-10(11)15(22)23)12-5-6-13(19-18-12)20-8-7-16-9-20/h5-9H,1-4H2,(H,17,21)(H,22,23).
What are the key properties of 2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]cyclohexene-1-carboxylic acid?
2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]cyclohexene-1-carboxylic acid has a molecular weight of 313.32 g/mol, XLogP of 1.30, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]cyclohexene-1-carboxylic acid is sourced from PubChem (CID 139444254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).