5-[1-(oxan-4-ylmethyl)triazol-4-yl]-1H-indazole

C15H17N5O — CID 25164884

IUPAC5-[1-(oxan-4-ylmethyl)triazol-4-yl]-1H-indazole
SMILESc1cc2[nH]ncc2cc1-c1cn(CC2CCOCC2)nn1
InChIInChI=1S/C15H17N5O/c1-2-14-13(8-16-17-14)7-12(1)15-10-20(19-18-15)9-11-3-5-21-6-4-11/h1-2,7-8,10-11H,3-6,9H2,(H,16,17)
InChIKeyISEDKXOMRIKZPK-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.25
Rot. Bonds3

About 5-[1-(oxan-4-ylmethyl)triazol-4-yl]-1H-indazole

5-[1-(oxan-4-ylmethyl)triazol-4-yl]-1H-indazole (PubChem CID 25164884) has the molecular formula C15H17N5O and a molecular weight of 283.33 g/mol. Its IUPAC name is 5-[1-(oxan-4-ylmethyl)triazol-4-yl]-1H-indazole.

Molecular Properties

Compound Name5-[1-(oxan-4-ylmethyl)triazol-4-yl]-1H-indazole
PubChem CID25164884
Molecular FormulaC15H17N5O
Molecular Weight283.33 g/mol
Exact Mass283.14
IUPAC Name5-[1-(oxan-4-ylmethyl)triazol-4-yl]-1H-indazole
SMILESc1cc2[nH]ncc2cc1-c1cn(CC2CCOCC2)nn1
InChIInChI=1S/C15H17N5O/c1-2-14-13(8-16-17-14)7-12(1)15-10-20(19-18-15)9-11-3-5-21-6-4-11/h1-2,7-8,10-11H,3-6,9H2,(H,16,17)
InChIKeyISEDKXOMRIKZPK-UHFFFAOYSA-N
XLogP2.25
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(oxan-4-ylmethyl)triazol-4-yl]-1H-indazole?
The IUPAC name of 5-[1-(oxan-4-ylmethyl)triazol-4-yl]-1H-indazole (CID 25164884) is 5-[1-(oxan-4-ylmethyl)triazol-4-yl]-1H-indazole.
What is the SMILES notation for 5-[1-(oxan-4-ylmethyl)triazol-4-yl]-1H-indazole?
The canonical SMILES for 5-[1-(oxan-4-ylmethyl)triazol-4-yl]-1H-indazole is c1cc2[nH]ncc2cc1-c1cn(CC2CCOCC2)nn1.
What is the InChIKey of 5-[1-(oxan-4-ylmethyl)triazol-4-yl]-1H-indazole?
The InChIKey is ISEDKXOMRIKZPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O/c1-2-14-13(8-16-17-14)7-12(1)15-10-20(19-18-15)9-11-3-5-21-6-4-11/h1-2,7-8,10-11H,3-6,9H2,(H,16,17).
What are the key properties of 5-[1-(oxan-4-ylmethyl)triazol-4-yl]-1H-indazole?
5-[1-(oxan-4-ylmethyl)triazol-4-yl]-1H-indazole has a molecular weight of 283.33 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(oxan-4-ylmethyl)triazol-4-yl]-1H-indazole is sourced from PubChem (CID 25164884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).