2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-methylindazol-3-one

C18H16N6O — CID 135351067

IUPAC2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-methylindazol-3-one
SMILESCn1c2ccccc2c(=O)n1-c1cccc(-c2nncn2C2CC2)n1
InChIInChI=1S/C18H16N6O/c1-22-15-7-3-2-5-13(15)18(25)24(22)16-8-4-6-14(20-16)17-21-19-11-23(17)12-9-10-12/h2-8,11-12H,9-10H2,1H3
InChIKeyHXHNRQWEJMBATI-UHFFFAOYSA-N
MW332.37 g/mol
LogP2.32
Rot. Bonds3

About 2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-methylindazol-3-one

2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-methylindazol-3-one (PubChem CID 135351067) has the molecular formula C18H16N6O and a molecular weight of 332.37 g/mol. Its IUPAC name is 2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-methylindazol-3-one.

Molecular Properties

Compound Name2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-methylindazol-3-one
PubChem CID135351067
Molecular FormulaC18H16N6O
Molecular Weight332.37 g/mol
Exact Mass332.14
IUPAC Name2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-methylindazol-3-one
SMILESCn1c2ccccc2c(=O)n1-c1cccc(-c2nncn2C2CC2)n1
InChIInChI=1S/C18H16N6O/c1-22-15-7-3-2-5-13(15)18(25)24(22)16-8-4-6-14(20-16)17-21-19-11-23(17)12-9-10-12/h2-8,11-12H,9-10H2,1H3
InChIKeyHXHNRQWEJMBATI-UHFFFAOYSA-N
XLogP2.32
TPSA70.53 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.37
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-methylindazol-3-one?
The IUPAC name of 2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-methylindazol-3-one (CID 135351067) is 2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-methylindazol-3-one.
What is the SMILES notation for 2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-methylindazol-3-one?
The canonical SMILES for 2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-methylindazol-3-one is Cn1c2ccccc2c(=O)n1-c1cccc(-c2nncn2C2CC2)n1.
What is the InChIKey of 2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-methylindazol-3-one?
The InChIKey is HXHNRQWEJMBATI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N6O/c1-22-15-7-3-2-5-13(15)18(25)24(22)16-8-4-6-14(20-16)17-21-19-11-23(17)12-9-10-12/h2-8,11-12H,9-10H2,1H3.
What are the key properties of 2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-methylindazol-3-one?
2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-methylindazol-3-one has a molecular weight of 332.37 g/mol, XLogP of 2.32, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-methylindazol-3-one is sourced from PubChem (CID 135351067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).