5-chloro-N-[[3-[4-(6-oxo-1H-pyridazin-3-yl)phenyl]-1,2-dihydrotriazol-5-yl]methyl]thiophene-2-carboxamide

C18H15ClN6O2S — CID 143722878

IUPAC5-chloro-N-[[3-[4-(6-oxo-1H-pyridazin-3-yl)phenyl]-1,2-dihydrotriazol-5-yl]methyl]thiophene-2-carboxamide
SMILESO=C(NCC1=CN(c2ccc(-c3ccc(=O)[nH]n3)cc2)NN1)c1ccc(Cl)s1
InChIInChI=1S/C18H15ClN6O2S/c19-16-7-6-15(28-16)18(27)20-9-12-10-25(24-21-12)13-3-1-11(2-4-13)14-5-8-17(26)23-22-14/h1-8,10,21,24H,9H2,(H,20,27)(H,23,26)
InChIKeyGNZMZPXZHTUKTR-UHFFFAOYSA-N
MW414.88 g/mol
LogP2.25
Rot. Bonds5

About 5-chloro-N-[[3-[4-(6-oxo-1H-pyridazin-3-yl)phenyl]-1,2-dihydrotriazol-5-yl]methyl]thiophene-2-carboxamide

5-chloro-N-[[3-[4-(6-oxo-1H-pyridazin-3-yl)phenyl]-1,2-dihydrotriazol-5-yl]methyl]thiophene-2-carboxamide (PubChem CID 143722878) has the molecular formula C18H15ClN6O2S and a molecular weight of 414.88 g/mol. Its IUPAC name is 5-chloro-N-[[3-[4-(6-oxo-1H-pyridazin-3-yl)phenyl]-1,2-dihydrotriazol-5-yl]methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[[3-[4-(6-oxo-1H-pyridazin-3-yl)phenyl]-1,2-dihydrotriazol-5-yl]methyl]thiophene-2-carboxamide
PubChem CID143722878
Molecular FormulaC18H15ClN6O2S
Molecular Weight414.88 g/mol
Exact Mass414.07
IUPAC Name5-chloro-N-[[3-[4-(6-oxo-1H-pyridazin-3-yl)phenyl]-1,2-dihydrotriazol-5-yl]methyl]thiophene-2-carboxamide
SMILESO=C(NCC1=CN(c2ccc(-c3ccc(=O)[nH]n3)cc2)NN1)c1ccc(Cl)s1
InChIInChI=1S/C18H15ClN6O2S/c19-16-7-6-15(28-16)18(27)20-9-12-10-25(24-21-12)13-3-1-11(2-4-13)14-5-8-17(26)23-22-14/h1-8,10,21,24H,9H2,(H,20,27)(H,23,26)
InChIKeyGNZMZPXZHTUKTR-UHFFFAOYSA-N
XLogP2.25
TPSA102.15 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.88
LogP ≤ 52.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

N-[[3-[4-(4-amino-5-fluoro-2-oxopyrimidin-1-yl)phenyl]-1,2-dihydrotriazol-5-yl]methyl]-5-chlorothiophene-2-carboxamide
CID 143722952
5-chloro-N-[[3-[4-(4-methyl-1,4-diazepan-1-yl)phenyl]-1,2-dihydrotriazol-5-yl]methyl]thiophene-2-carboxamide
CID 143722899
5-chloro-N-[[3-[4-(2-oxo-1-pyridinyl)-2-pyridin-4-ylphenyl]-1,2-dihydrotriazol-5-yl]methyl]thiophene-2-carboxamide
CID 143723164
5-chloro-N-[[3-(4-methyl-3-oxo-1,4-benzoxazin-7-yl)-1,2-dihydrotriazol-5-yl]methyl]thiophene-2-carboxamide
CID 143722902
5-chloro-N-[[3-[2-(2-fluoro-4-pyridinyl)-4-(2-oxo-1-pyridinyl)phenyl]-1,2-dihydrotriazol-5-yl]methyl]thiophene-2-carboxamide
CID 143723034
5-chloro-N-[[1-[4-(1-methyl-6-oxopyridazin-3-yl)phenyl]imidazol-4-yl]methyl]thiophene-2-carboxamide
CID 24986898
N-[[2-(4-bromophenyl)-3-oxo-1H-pyrazol-5-yl]methyl]-5-chlorothiophene-2-carboxamide
CID 91378573
5-chloro-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)thiophene-2-carboxamide
CID 91629664
5-chloro-N-[[1-[4-(2-oxo-1-pyridinyl)-2-(6-oxo-1H-pyridin-3-yl)phenyl]imidazol-4-yl]methyl]thiophene-2-carboxamide
CID 24760753
5-chloro-N-[(3-chlorophenyl)methyl]thiophene-2-carboxamide
CID 9165422
5-chloro-N-[[1-[4-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)phenyl]triazol-4-yl]methyl]thiophene-2-carboxamide
CID 91349606
5-chloro-N-[[1-methyl-2-[4-(3-oxomorpholin-4-yl)phenyl]imidazol-4-yl]methyl]thiophene-2-carboxamide
CID 25099710

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[[3-[4-(6-oxo-1H-pyridazin-3-yl)phenyl]-1,2-dihydrotriazol-5-yl]methyl]thiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-[[3-[4-(6-oxo-1H-pyridazin-3-yl)phenyl]-1,2-dihydrotriazol-5-yl]methyl]thiophene-2-carboxamide (CID 143722878) is 5-chloro-N-[[3-[4-(6-oxo-1H-pyridazin-3-yl)phenyl]-1,2-dihydrotriazol-5-yl]methyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[[3-[4-(6-oxo-1H-pyridazin-3-yl)phenyl]-1,2-dihydrotriazol-5-yl]methyl]thiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-[[3-[4-(6-oxo-1H-pyridazin-3-yl)phenyl]-1,2-dihydrotriazol-5-yl]methyl]thiophene-2-carboxamide is O=C(NCC1=CN(c2ccc(-c3ccc(=O)[nH]n3)cc2)NN1)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-[[3-[4-(6-oxo-1H-pyridazin-3-yl)phenyl]-1,2-dihydrotriazol-5-yl]methyl]thiophene-2-carboxamide?
The InChIKey is GNZMZPXZHTUKTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN6O2S/c19-16-7-6-15(28-16)18(27)20-9-12-10-25(24-21-12)13-3-1-11(2-4-13)14-5-8-17(26)23-22-14/h1-8,10,21,24H,9H2,(H,20,27)(H,23,26).
What are the key properties of 5-chloro-N-[[3-[4-(6-oxo-1H-pyridazin-3-yl)phenyl]-1,2-dihydrotriazol-5-yl]methyl]thiophene-2-carboxamide?
5-chloro-N-[[3-[4-(6-oxo-1H-pyridazin-3-yl)phenyl]-1,2-dihydrotriazol-5-yl]methyl]thiophene-2-carboxamide has a molecular weight of 414.88 g/mol, XLogP of 2.25, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[[3-[4-(6-oxo-1H-pyridazin-3-yl)phenyl]-1,2-dihydrotriazol-5-yl]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 143722878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).