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

C16H19N5O — CID 74234047

IUPAC3-[5-(oxolan-3-yl)-2-propan-2-yl-1,2,4-triazol-3-yl]-1H-indazole
SMILESCC(C)n1nc(C2CCOC2)nc1-c1n[nH]c2ccccc12
InChIInChI=1S/C16H19N5O/c1-10(2)21-16(17-15(20-21)11-7-8-22-9-11)14-12-5-3-4-6-13(12)18-19-14/h3-6,10-11H,7-9H2,1-2H3,(H,18,19)
InChIKeyKXJQHHKGJCMMCZ-UHFFFAOYSA-N
MW297.36 g/mol
LogP2.91
Rot. Bonds3

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

3-[5-(oxolan-3-yl)-2-propan-2-yl-1,2,4-triazol-3-yl]-1H-indazole (PubChem CID 74234047) has the molecular formula C16H19N5O and a molecular weight of 297.36 g/mol. Its IUPAC name is 3-[5-(oxolan-3-yl)-2-propan-2-yl-1,2,4-triazol-3-yl]-1H-indazole.

Molecular Properties

Compound Name3-[5-(oxolan-3-yl)-2-propan-2-yl-1,2,4-triazol-3-yl]-1H-indazole
PubChem CID74234047
Molecular FormulaC16H19N5O
Molecular Weight297.36 g/mol
Exact Mass297.16
IUPAC Name3-[5-(oxolan-3-yl)-2-propan-2-yl-1,2,4-triazol-3-yl]-1H-indazole
SMILESCC(C)n1nc(C2CCOC2)nc1-c1n[nH]c2ccccc12
InChIInChI=1S/C16H19N5O/c1-10(2)21-16(17-15(20-21)11-7-8-22-9-11)14-12-5-3-4-6-13(12)18-19-14/h3-6,10-11H,7-9H2,1-2H3,(H,18,19)
InChIKeyKXJQHHKGJCMMCZ-UHFFFAOYSA-N
XLogP2.91
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(oxolan-3-yl)-2-propan-2-yl-1,2,4-triazol-3-yl]-1H-indazole?
The IUPAC name of 3-[5-(oxolan-3-yl)-2-propan-2-yl-1,2,4-triazol-3-yl]-1H-indazole (CID 74234047) is 3-[5-(oxolan-3-yl)-2-propan-2-yl-1,2,4-triazol-3-yl]-1H-indazole.
What is the SMILES notation for 3-[5-(oxolan-3-yl)-2-propan-2-yl-1,2,4-triazol-3-yl]-1H-indazole?
The canonical SMILES for 3-[5-(oxolan-3-yl)-2-propan-2-yl-1,2,4-triazol-3-yl]-1H-indazole is CC(C)n1nc(C2CCOC2)nc1-c1n[nH]c2ccccc12.
What is the InChIKey of 3-[5-(oxolan-3-yl)-2-propan-2-yl-1,2,4-triazol-3-yl]-1H-indazole?
The InChIKey is KXJQHHKGJCMMCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O/c1-10(2)21-16(17-15(20-21)11-7-8-22-9-11)14-12-5-3-4-6-13(12)18-19-14/h3-6,10-11H,7-9H2,1-2H3,(H,18,19).
What are the key properties of 3-[5-(oxolan-3-yl)-2-propan-2-yl-1,2,4-triazol-3-yl]-1H-indazole?
3-[5-(oxolan-3-yl)-2-propan-2-yl-1,2,4-triazol-3-yl]-1H-indazole has a molecular weight of 297.36 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(oxolan-3-yl)-2-propan-2-yl-1,2,4-triazol-3-yl]-1H-indazole is sourced from PubChem (CID 74234047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).