5-methoxy-4-methyl-2-[2-(6-methyl-3-pyridinyl)indazol-5-yl]-1,2,4-triazol-3-one

C17H16N6O2 — CID 176718779

IUPAC5-methoxy-4-methyl-2-[2-(6-methyl-3-pyridinyl)indazol-5-yl]-1,2,4-triazol-3-one
SMILESCOc1nn(-c2ccc3nn(-c4ccc(C)nc4)cc3c2)c(=O)n1C
InChIInChI=1S/C17H16N6O2/c1-11-4-5-14(9-18-11)22-10-12-8-13(6-7-15(12)19-22)23-17(24)21(2)16(20-23)25-3/h4-10H,1-3H3
InChIKeyHPUUDJDBFMZQIY-UHFFFAOYSA-N
MW336.36 g/mol
LogP1.62
Rot. Bonds3

About 5-methoxy-4-methyl-2-[2-(6-methyl-3-pyridinyl)indazol-5-yl]-1,2,4-triazol-3-one

5-methoxy-4-methyl-2-[2-(6-methyl-3-pyridinyl)indazol-5-yl]-1,2,4-triazol-3-one (PubChem CID 176718779) has the molecular formula C17H16N6O2 and a molecular weight of 336.36 g/mol. Its IUPAC name is 5-methoxy-4-methyl-2-[2-(6-methyl-3-pyridinyl)indazol-5-yl]-1,2,4-triazol-3-one.

Molecular Properties

Compound Name5-methoxy-4-methyl-2-[2-(6-methyl-3-pyridinyl)indazol-5-yl]-1,2,4-triazol-3-one
PubChem CID176718779
Molecular FormulaC17H16N6O2
Molecular Weight336.36 g/mol
Exact Mass336.13
IUPAC Name5-methoxy-4-methyl-2-[2-(6-methyl-3-pyridinyl)indazol-5-yl]-1,2,4-triazol-3-one
SMILESCOc1nn(-c2ccc3nn(-c4ccc(C)nc4)cc3c2)c(=O)n1C
InChIInChI=1S/C17H16N6O2/c1-11-4-5-14(9-18-11)22-10-12-8-13(6-7-15(12)19-22)23-17(24)21(2)16(20-23)25-3/h4-10H,1-3H3
InChIKeyHPUUDJDBFMZQIY-UHFFFAOYSA-N
XLogP1.62
TPSA79.76 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.36
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

2-[2-(2,6-dimethyl-3-pyridinyl)indazol-5-yl]-5-methoxy-4-methyl-1,2,4-triazol-3-one
CID 176718879
2-[2-(5-chloro-3-pyridinyl)indazol-5-yl]-5-methoxy-4-methyl-1,2,4-triazol-3-one
CID 176718783
5-(cyclopropylmethyl)-7-methyl-2-(2-methylindazol-5-yl)-4-(6-methyl-3-pyridinyl)imidazo[4,5-c]pyridazine-3,6-dione
CID 163385335
5-methoxy-2-pyridin-3-ylindazole
CID 121320237
5-(cyclopropylmethyl)-7-iodo-2-(2-methylindazol-5-yl)-4-(6-methyl-3-pyridinyl)pyrrolo[3,2-c]pyridazin-3-one
CID 163385273
5-methoxy-1-methyl-3-(6-methyl-3-pyridinyl)pyrimidine-2,4-dione
CID 177336311
5-(cyclopropylmethyl)-2-(2-methylindazol-5-yl)-4-(6-methyl-3-pyridinyl)-3-oxopyrrolo[3,2-c]pyridazine-7-carboxamide
CID 163385256
ethane;2-methyl-5-(4-methyltriazol-1-yl)pyridine
CID 157044082
CID 174040705
CID 174040705
1-[6-[2-(4-methoxyphenyl)indazol-5-yl]oxy-3-pyridinyl]-1,7,9-triazaspiro[4.5]decane-6,8,10-trione
CID 10074624
ethane;3-methyl-1-(6-methyl-3-pyridinyl)-2-oxobenzimidazole-5-carbonitrile
CID 171100787
2-(2-methylindazol-5-yl)-4-(6-methyl-3-pyridinyl)-5H-pyrido[3,2-c]pyridazine-3,6-dione;2-(2-methylindazol-5-yl)-4-(6-methyl-3-pyridinyl)-6-(2,2,2-trifluoroethylamino)pyrido[3,2-c]pyridazin-3-one;2,2,2-trifluoroethanamine
CID 165022227

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-4-methyl-2-[2-(6-methyl-3-pyridinyl)indazol-5-yl]-1,2,4-triazol-3-one?
The IUPAC name of 5-methoxy-4-methyl-2-[2-(6-methyl-3-pyridinyl)indazol-5-yl]-1,2,4-triazol-3-one (CID 176718779) is 5-methoxy-4-methyl-2-[2-(6-methyl-3-pyridinyl)indazol-5-yl]-1,2,4-triazol-3-one.
What is the SMILES notation for 5-methoxy-4-methyl-2-[2-(6-methyl-3-pyridinyl)indazol-5-yl]-1,2,4-triazol-3-one?
The canonical SMILES for 5-methoxy-4-methyl-2-[2-(6-methyl-3-pyridinyl)indazol-5-yl]-1,2,4-triazol-3-one is COc1nn(-c2ccc3nn(-c4ccc(C)nc4)cc3c2)c(=O)n1C.
What is the InChIKey of 5-methoxy-4-methyl-2-[2-(6-methyl-3-pyridinyl)indazol-5-yl]-1,2,4-triazol-3-one?
The InChIKey is HPUUDJDBFMZQIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N6O2/c1-11-4-5-14(9-18-11)22-10-12-8-13(6-7-15(12)19-22)23-17(24)21(2)16(20-23)25-3/h4-10H,1-3H3.
What are the key properties of 5-methoxy-4-methyl-2-[2-(6-methyl-3-pyridinyl)indazol-5-yl]-1,2,4-triazol-3-one?
5-methoxy-4-methyl-2-[2-(6-methyl-3-pyridinyl)indazol-5-yl]-1,2,4-triazol-3-one has a molecular weight of 336.36 g/mol, XLogP of 1.62, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-4-methyl-2-[2-(6-methyl-3-pyridinyl)indazol-5-yl]-1,2,4-triazol-3-one is sourced from PubChem (CID 176718779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).