N-[3-chloro-2-(1,2,4-triazol-1-yl)phenyl]-6-oxo-1-propylpyridazine-3-carboxamide

C16H15ClN6O2 — CID 55609681

IUPACN-[3-chloro-2-(1,2,4-triazol-1-yl)phenyl]-6-oxo-1-propylpyridazine-3-carboxamide
SMILESCCCn1nc(C(=O)Nc2cccc(Cl)c2-n2cncn2)ccc1=O
InChIInChI=1S/C16H15ClN6O2/c1-2-8-22-14(24)7-6-13(21-22)16(25)20-12-5-3-4-11(17)15(12)23-10-18-9-19-23/h3-7,9-10H,2,8H2,1H3,(H,20,25)
InChIKeyDWSMRNQTRGIBFB-UHFFFAOYSA-N
MW358.79 g/mol
LogP2.14
Rot. Bonds5

About N-[3-chloro-2-(1,2,4-triazol-1-yl)phenyl]-6-oxo-1-propylpyridazine-3-carboxamide

N-[3-chloro-2-(1,2,4-triazol-1-yl)phenyl]-6-oxo-1-propylpyridazine-3-carboxamide (PubChem CID 55609681) has the molecular formula C16H15ClN6O2 and a molecular weight of 358.79 g/mol. Its IUPAC name is N-[3-chloro-2-(1,2,4-triazol-1-yl)phenyl]-6-oxo-1-propylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[3-chloro-2-(1,2,4-triazol-1-yl)phenyl]-6-oxo-1-propylpyridazine-3-carboxamide
PubChem CID55609681
Molecular FormulaC16H15ClN6O2
Molecular Weight358.79 g/mol
Exact Mass358.09
IUPAC NameN-[3-chloro-2-(1,2,4-triazol-1-yl)phenyl]-6-oxo-1-propylpyridazine-3-carboxamide
SMILESCCCn1nc(C(=O)Nc2cccc(Cl)c2-n2cncn2)ccc1=O
InChIInChI=1S/C16H15ClN6O2/c1-2-8-22-14(24)7-6-13(21-22)16(25)20-12-5-3-4-11(17)15(12)23-10-18-9-19-23/h3-7,9-10H,2,8H2,1H3,(H,20,25)
InChIKeyDWSMRNQTRGIBFB-UHFFFAOYSA-N
XLogP2.14
TPSA94.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.79
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[3-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-ethyl-1,3-thiazole-5-carboxamide
CID 48576005
N-[3-chloro-2-(1,2,4-triazol-1-yl)phenyl]-3-ethoxy-4-propoxybenzamide
CID 55609744
N-[3-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-methoxy-2-methylpropanamide
CID 103028879
N-[2-chloro-5-(methylcarbamoyl)phenyl]-6-oxo-1-propylpyridazine-3-carboxamide
CID 87004540
3-(aminomethyl)-N-[3-chloro-2-(1,2,4-triazol-1-yl)phenyl]pentanamide
CID 81070411
1-butyl-N-(2-hydroxyphenyl)-6-oxopyridazine-3-carboxamide
CID 25474489
N-(3-acetamido-2-methylphenyl)-1-butyl-6-oxopyridazine-3-carboxamide
CID 134019234
5-[3-chloro-2-(1,2,4-triazol-1-yl)anilino]-5-oxopentanoic acid
CID 60940339
N-butyl-3-chloro-2-(1,2,4-triazol-1-yl)aniline
CID 43726263
3-chloro-N-methyl-2-(1,2,4-triazol-1-yl)aniline
CID 63090210
(2S)-2-amino-N-[3-chloro-2-(1,2,4-triazol-1-yl)phenyl]-4-methylsulfanylbutanamide
CID 61178604
N-(3-chloro-2-morpholin-4-ylphenyl)-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 24603947

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-2-(1,2,4-triazol-1-yl)phenyl]-6-oxo-1-propylpyridazine-3-carboxamide?
The IUPAC name of N-[3-chloro-2-(1,2,4-triazol-1-yl)phenyl]-6-oxo-1-propylpyridazine-3-carboxamide (CID 55609681) is N-[3-chloro-2-(1,2,4-triazol-1-yl)phenyl]-6-oxo-1-propylpyridazine-3-carboxamide.
What is the SMILES notation for N-[3-chloro-2-(1,2,4-triazol-1-yl)phenyl]-6-oxo-1-propylpyridazine-3-carboxamide?
The canonical SMILES for N-[3-chloro-2-(1,2,4-triazol-1-yl)phenyl]-6-oxo-1-propylpyridazine-3-carboxamide is CCCn1nc(C(=O)Nc2cccc(Cl)c2-n2cncn2)ccc1=O.
What is the InChIKey of N-[3-chloro-2-(1,2,4-triazol-1-yl)phenyl]-6-oxo-1-propylpyridazine-3-carboxamide?
The InChIKey is DWSMRNQTRGIBFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN6O2/c1-2-8-22-14(24)7-6-13(21-22)16(25)20-12-5-3-4-11(17)15(12)23-10-18-9-19-23/h3-7,9-10H,2,8H2,1H3,(H,20,25).
What are the key properties of N-[3-chloro-2-(1,2,4-triazol-1-yl)phenyl]-6-oxo-1-propylpyridazine-3-carboxamide?
N-[3-chloro-2-(1,2,4-triazol-1-yl)phenyl]-6-oxo-1-propylpyridazine-3-carboxamide has a molecular weight of 358.79 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-2-(1,2,4-triazol-1-yl)phenyl]-6-oxo-1-propylpyridazine-3-carboxamide is sourced from PubChem (CID 55609681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).