1-[(1-cyclopentyltriazol-4-yl)methyl]-2-propan-2-ylindazol-3-one

C18H23N5O — CID 51361326

IUPAC1-[(1-cyclopentyltriazol-4-yl)methyl]-2-propan-2-ylindazol-3-one
SMILESCC(C)n1c(=O)c2ccccc2n1Cc1cn(C2CCCC2)nn1
InChIInChI=1S/C18H23N5O/c1-13(2)23-18(24)16-9-5-6-10-17(16)22(23)12-14-11-21(20-19-14)15-7-3-4-8-15/h5-6,9-11,13,15H,3-4,7-8,12H2,1-2H3
InChIKeyXTOYEEHKVVOZAA-UHFFFAOYSA-N
MW325.42 g/mol
LogP3.14
Rot. Bonds4

About 1-[(1-cyclopentyltriazol-4-yl)methyl]-2-propan-2-ylindazol-3-one

1-[(1-cyclopentyltriazol-4-yl)methyl]-2-propan-2-ylindazol-3-one (PubChem CID 51361326) has the molecular formula C18H23N5O and a molecular weight of 325.42 g/mol. Its IUPAC name is 1-[(1-cyclopentyltriazol-4-yl)methyl]-2-propan-2-ylindazol-3-one.

Molecular Properties

Compound Name1-[(1-cyclopentyltriazol-4-yl)methyl]-2-propan-2-ylindazol-3-one
PubChem CID51361326
Molecular FormulaC18H23N5O
Molecular Weight325.42 g/mol
Exact Mass325.19
IUPAC Name1-[(1-cyclopentyltriazol-4-yl)methyl]-2-propan-2-ylindazol-3-one
SMILESCC(C)n1c(=O)c2ccccc2n1Cc1cn(C2CCCC2)nn1
InChIInChI=1S/C18H23N5O/c1-13(2)23-18(24)16-9-5-6-10-17(16)22(23)12-14-11-21(20-19-14)15-7-3-4-8-15/h5-6,9-11,13,15H,3-4,7-8,12H2,1-2H3
InChIKeyXTOYEEHKVVOZAA-UHFFFAOYSA-N
XLogP3.14
TPSA57.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-cyclopentyltriazol-4-yl)methyl]-2-propan-2-ylindazol-3-one?
The IUPAC name of 1-[(1-cyclopentyltriazol-4-yl)methyl]-2-propan-2-ylindazol-3-one (CID 51361326) is 1-[(1-cyclopentyltriazol-4-yl)methyl]-2-propan-2-ylindazol-3-one.
What is the SMILES notation for 1-[(1-cyclopentyltriazol-4-yl)methyl]-2-propan-2-ylindazol-3-one?
The canonical SMILES for 1-[(1-cyclopentyltriazol-4-yl)methyl]-2-propan-2-ylindazol-3-one is CC(C)n1c(=O)c2ccccc2n1Cc1cn(C2CCCC2)nn1.
What is the InChIKey of 1-[(1-cyclopentyltriazol-4-yl)methyl]-2-propan-2-ylindazol-3-one?
The InChIKey is XTOYEEHKVVOZAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O/c1-13(2)23-18(24)16-9-5-6-10-17(16)22(23)12-14-11-21(20-19-14)15-7-3-4-8-15/h5-6,9-11,13,15H,3-4,7-8,12H2,1-2H3.
What are the key properties of 1-[(1-cyclopentyltriazol-4-yl)methyl]-2-propan-2-ylindazol-3-one?
1-[(1-cyclopentyltriazol-4-yl)methyl]-2-propan-2-ylindazol-3-one has a molecular weight of 325.42 g/mol, XLogP of 3.14, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-cyclopentyltriazol-4-yl)methyl]-2-propan-2-ylindazol-3-one is sourced from PubChem (CID 51361326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).