3-[[3-(oxolan-3-yl)-1H-1,2,4-triazol-5-yl]methyl]-2H-indazole

C14H15N5O — CID 74239172

IUPAC3-[[3-(oxolan-3-yl)-1H-1,2,4-triazol-5-yl]methyl]-2H-indazole
SMILESc1ccc2c(Cc3nc(C4CCOC4)n[nH]3)[nH]nc2c1
InChIInChI=1S/C14H15N5O/c1-2-4-11-10(3-1)12(17-16-11)7-13-15-14(19-18-13)9-5-6-20-8-9/h1-4,9H,5-8H2,(H,16,17)(H,15,18,19)
InChIKeyKJGRCIBHLDSBTE-UHFFFAOYSA-N
MW269.31 g/mol
LogP1.78
Rot. Bonds3

About 3-[[3-(oxolan-3-yl)-1H-1,2,4-triazol-5-yl]methyl]-2H-indazole

3-[[3-(oxolan-3-yl)-1H-1,2,4-triazol-5-yl]methyl]-2H-indazole (PubChem CID 74239172) has the molecular formula C14H15N5O and a molecular weight of 269.31 g/mol. Its IUPAC name is 3-[[3-(oxolan-3-yl)-1H-1,2,4-triazol-5-yl]methyl]-2H-indazole.

Molecular Properties

Compound Name3-[[3-(oxolan-3-yl)-1H-1,2,4-triazol-5-yl]methyl]-2H-indazole
PubChem CID74239172
Molecular FormulaC14H15N5O
Molecular Weight269.31 g/mol
Exact Mass269.13
IUPAC Name3-[[3-(oxolan-3-yl)-1H-1,2,4-triazol-5-yl]methyl]-2H-indazole
SMILESc1ccc2c(Cc3nc(C4CCOC4)n[nH]3)[nH]nc2c1
InChIInChI=1S/C14H15N5O/c1-2-4-11-10(3-1)12(17-16-11)7-13-15-14(19-18-13)9-5-6-20-8-9/h1-4,9H,5-8H2,(H,16,17)(H,15,18,19)
InChIKeyKJGRCIBHLDSBTE-UHFFFAOYSA-N
XLogP1.78
TPSA79.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-2H-indazole
CID 50972633
N-[[3-(oxolan-3-yl)-1H-1,2,4-triazol-5-yl]methyl]-1,3-benzothiazol-2-amine
CID 126836098
3-[3-[(3S)-oxolan-3-yl]-1H-1,2,4-triazol-5-yl]propan-1-amine
CID 124509391
2-methyl-1-[2-[3-(oxolan-3-yl)-1H-1,2,4-triazol-5-yl]ethyl]indole
CID 74230614
2-ethyl-N-[[3-(oxolan-3-yl)-1H-1,2,4-triazol-5-yl]methyl]benzenesulfonamide
CID 126831342
2-(2H-indazol-3-yl)-N-(oxolan-3-yl)-N-(2-phenylethyl)acetamide
CID 71923006
5-methyl-2-[[3-(oxolan-3-yl)-1H-1,2,4-triazol-5-yl]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 86286168
3-cyclopropyl-5-(2-phenylethyl)-1H-1,2,4-triazole
CID 61338115
3-[3-(oxan-3-yl)-1H-1,2,4-triazol-5-yl]propan-1-amine
CID 65333477
3-ethyl-2H-indazole;molecular hydrogen
CID 156727025
7-chloro-N-[[3-[(3R)-oxolan-3-yl]-1H-1,2,4-triazol-5-yl]methyl]-1-benzofuran-4-carboxamide
CID 164634818
4-(3-fluorophenyl)-3-methyl-N-[[3-(oxolan-3-yl)-1H-1,2,4-triazol-5-yl]methyl]butanamide
CID 126834385

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(oxolan-3-yl)-1H-1,2,4-triazol-5-yl]methyl]-2H-indazole?
The IUPAC name of 3-[[3-(oxolan-3-yl)-1H-1,2,4-triazol-5-yl]methyl]-2H-indazole (CID 74239172) is 3-[[3-(oxolan-3-yl)-1H-1,2,4-triazol-5-yl]methyl]-2H-indazole.
What is the SMILES notation for 3-[[3-(oxolan-3-yl)-1H-1,2,4-triazol-5-yl]methyl]-2H-indazole?
The canonical SMILES for 3-[[3-(oxolan-3-yl)-1H-1,2,4-triazol-5-yl]methyl]-2H-indazole is c1ccc2c(Cc3nc(C4CCOC4)n[nH]3)[nH]nc2c1.
What is the InChIKey of 3-[[3-(oxolan-3-yl)-1H-1,2,4-triazol-5-yl]methyl]-2H-indazole?
The InChIKey is KJGRCIBHLDSBTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O/c1-2-4-11-10(3-1)12(17-16-11)7-13-15-14(19-18-13)9-5-6-20-8-9/h1-4,9H,5-8H2,(H,16,17)(H,15,18,19).
What are the key properties of 3-[[3-(oxolan-3-yl)-1H-1,2,4-triazol-5-yl]methyl]-2H-indazole?
3-[[3-(oxolan-3-yl)-1H-1,2,4-triazol-5-yl]methyl]-2H-indazole has a molecular weight of 269.31 g/mol, XLogP of 1.78, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(oxolan-3-yl)-1H-1,2,4-triazol-5-yl]methyl]-2H-indazole is sourced from PubChem (CID 74239172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).