2-[2-(5-chloro-3-pyridinyl)indazol-5-yl]-5-methoxy-4-methyl-1,2,4-triazol-3-one

C16H13ClN6O2 — CID 176718783

IUPAC2-[2-(5-chloro-3-pyridinyl)indazol-5-yl]-5-methoxy-4-methyl-1,2,4-triazol-3-one
SMILESCOc1nn(-c2ccc3nn(-c4cncc(Cl)c4)cc3c2)c(=O)n1C
InChIInChI=1S/C16H13ClN6O2/c1-21-15(25-2)20-23(16(21)24)12-3-4-14-10(5-12)9-22(19-14)13-6-11(17)7-18-8-13/h3-9H,1-2H3
InChIKeyZGHLRLPWIFHXFF-UHFFFAOYSA-N
MW356.77 g/mol
LogP1.97
Rot. Bonds3

About 2-[2-(5-chloro-3-pyridinyl)indazol-5-yl]-5-methoxy-4-methyl-1,2,4-triazol-3-one

2-[2-(5-chloro-3-pyridinyl)indazol-5-yl]-5-methoxy-4-methyl-1,2,4-triazol-3-one (PubChem CID 176718783) has the molecular formula C16H13ClN6O2 and a molecular weight of 356.77 g/mol. Its IUPAC name is 2-[2-(5-chloro-3-pyridinyl)indazol-5-yl]-5-methoxy-4-methyl-1,2,4-triazol-3-one.

Molecular Properties

Compound Name2-[2-(5-chloro-3-pyridinyl)indazol-5-yl]-5-methoxy-4-methyl-1,2,4-triazol-3-one
PubChem CID176718783
Molecular FormulaC16H13ClN6O2
Molecular Weight356.77 g/mol
Exact Mass356.08
IUPAC Name2-[2-(5-chloro-3-pyridinyl)indazol-5-yl]-5-methoxy-4-methyl-1,2,4-triazol-3-one
SMILESCOc1nn(-c2ccc3nn(-c4cncc(Cl)c4)cc3c2)c(=O)n1C
InChIInChI=1S/C16H13ClN6O2/c1-21-15(25-2)20-23(16(21)24)12-3-4-14-10(5-12)9-22(19-14)13-6-11(17)7-18-8-13/h3-9H,1-2H3
InChIKeyZGHLRLPWIFHXFF-UHFFFAOYSA-N
XLogP1.97
TPSA79.76 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.77
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-[2-(5-chloro-3-pyridinyl)indazol-5-yl]-5-methoxy-4-methyl-1,2,4-triazol-3-one with MolForge

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Related Compounds

5-methoxy-4-methyl-2-[2-(6-methyl-3-pyridinyl)indazol-5-yl]-1,2,4-triazol-3-one
CID 176718779
2-[2-(2,6-dimethyl-3-pyridinyl)indazol-5-yl]-5-methoxy-4-methyl-1,2,4-triazol-3-one
CID 176718879
5-methoxy-2-pyridin-3-ylindazole
CID 121320237
5-chloro-2-(4-fluorophenyl)indazole
CID 135038170
5-chloro-2-phenylindazole
CID 102305728
3-chloro-1-(5-methoxy-3-pyridinyl)-N-methylpyrazol-4-amine
CID 86700650
2-(2-chlorophenyl)-5-methoxyindazole
CID 102305740
4-chloro-5-(cyclopropylmethyl)-6-methyl-2-(2-methylindazol-5-yl)pyrrolo[3,2-c]pyridazin-3-one
CID 163385298
N-[3-chloro-1-(5-methoxy-3-pyridinyl)pyrazol-4-yl]acetamide
CID 158336052
8-(4-chlorophenyl)-2-cyclopropyloxy-6-(2-methylindazol-5-yl)-1,6-naphthyridin-7-one
CID 139551966
6-fluoro-5-methoxy-2-(4-methoxyphenyl)indazole
CID 176556581
2,5-dipyridin-3-ylindazole
CID 121379381

Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-chloro-3-pyridinyl)indazol-5-yl]-5-methoxy-4-methyl-1,2,4-triazol-3-one?
The IUPAC name of 2-[2-(5-chloro-3-pyridinyl)indazol-5-yl]-5-methoxy-4-methyl-1,2,4-triazol-3-one (CID 176718783) is 2-[2-(5-chloro-3-pyridinyl)indazol-5-yl]-5-methoxy-4-methyl-1,2,4-triazol-3-one.
What is the SMILES notation for 2-[2-(5-chloro-3-pyridinyl)indazol-5-yl]-5-methoxy-4-methyl-1,2,4-triazol-3-one?
The canonical SMILES for 2-[2-(5-chloro-3-pyridinyl)indazol-5-yl]-5-methoxy-4-methyl-1,2,4-triazol-3-one is COc1nn(-c2ccc3nn(-c4cncc(Cl)c4)cc3c2)c(=O)n1C.
What is the InChIKey of 2-[2-(5-chloro-3-pyridinyl)indazol-5-yl]-5-methoxy-4-methyl-1,2,4-triazol-3-one?
The InChIKey is ZGHLRLPWIFHXFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN6O2/c1-21-15(25-2)20-23(16(21)24)12-3-4-14-10(5-12)9-22(19-14)13-6-11(17)7-18-8-13/h3-9H,1-2H3.
What are the key properties of 2-[2-(5-chloro-3-pyridinyl)indazol-5-yl]-5-methoxy-4-methyl-1,2,4-triazol-3-one?
2-[2-(5-chloro-3-pyridinyl)indazol-5-yl]-5-methoxy-4-methyl-1,2,4-triazol-3-one has a molecular weight of 356.77 g/mol, XLogP of 1.97, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-chloro-3-pyridinyl)indazol-5-yl]-5-methoxy-4-methyl-1,2,4-triazol-3-one is sourced from PubChem (CID 176718783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).