5-[5-[2-(2,6-difluorophenoxy)propan-2-yl]-4-methyl-1,2,4-triazol-3-yl]-4,5,6,7-tetrahydro-1H-indazole

C19H21F2N5O — CID 58243971

IUPAC5-[5-[2-(2,6-difluorophenoxy)propan-2-yl]-4-methyl-1,2,4-triazol-3-yl]-4,5,6,7-tetrahydro-1H-indazole
SMILESCn1c(C2CCc3[nH]ncc3C2)nnc1C(C)(C)Oc1c(F)cccc1F
InChIInChI=1S/C19H21F2N5O/c1-19(2,27-16-13(20)5-4-6-14(16)21)18-25-24-17(26(18)3)11-7-8-15-12(9-11)10-22-23-15/h4-6,10-11H,7-9H2,1-3H3,(H,22,23)
InChIKeyRNIDBRWDSUKRKD-UHFFFAOYSA-N
MW373.41 g/mol
LogP3.40
Rot. Bonds4

About 5-[5-[2-(2,6-difluorophenoxy)propan-2-yl]-4-methyl-1,2,4-triazol-3-yl]-4,5,6,7-tetrahydro-1H-indazole

5-[5-[2-(2,6-difluorophenoxy)propan-2-yl]-4-methyl-1,2,4-triazol-3-yl]-4,5,6,7-tetrahydro-1H-indazole (PubChem CID 58243971) has the molecular formula C19H21F2N5O and a molecular weight of 373.41 g/mol. Its IUPAC name is 5-[5-[2-(2,6-difluorophenoxy)propan-2-yl]-4-methyl-1,2,4-triazol-3-yl]-4,5,6,7-tetrahydro-1H-indazole.

Molecular Properties

Compound Name5-[5-[2-(2,6-difluorophenoxy)propan-2-yl]-4-methyl-1,2,4-triazol-3-yl]-4,5,6,7-tetrahydro-1H-indazole
PubChem CID58243971
Molecular FormulaC19H21F2N5O
Molecular Weight373.41 g/mol
Exact Mass373.17
IUPAC Name5-[5-[2-(2,6-difluorophenoxy)propan-2-yl]-4-methyl-1,2,4-triazol-3-yl]-4,5,6,7-tetrahydro-1H-indazole
SMILESCn1c(C2CCc3[nH]ncc3C2)nnc1C(C)(C)Oc1c(F)cccc1F
InChIInChI=1S/C19H21F2N5O/c1-19(2,27-16-13(20)5-4-6-14(16)21)18-25-24-17(26(18)3)11-7-8-15-12(9-11)10-22-23-15/h4-6,10-11H,7-9H2,1-3H3,(H,22,23)
InChIKeyRNIDBRWDSUKRKD-UHFFFAOYSA-N
XLogP3.40
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[5-[2-(2,6-difluorophenoxy)propan-2-yl]-4-methyl-1,2,4-triazol-3-yl]-4,5,6,7-tetrahydro-1H-indazole?
The IUPAC name of 5-[5-[2-(2,6-difluorophenoxy)propan-2-yl]-4-methyl-1,2,4-triazol-3-yl]-4,5,6,7-tetrahydro-1H-indazole (CID 58243971) is 5-[5-[2-(2,6-difluorophenoxy)propan-2-yl]-4-methyl-1,2,4-triazol-3-yl]-4,5,6,7-tetrahydro-1H-indazole.
What is the SMILES notation for 5-[5-[2-(2,6-difluorophenoxy)propan-2-yl]-4-methyl-1,2,4-triazol-3-yl]-4,5,6,7-tetrahydro-1H-indazole?
The canonical SMILES for 5-[5-[2-(2,6-difluorophenoxy)propan-2-yl]-4-methyl-1,2,4-triazol-3-yl]-4,5,6,7-tetrahydro-1H-indazole is Cn1c(C2CCc3[nH]ncc3C2)nnc1C(C)(C)Oc1c(F)cccc1F.
What is the InChIKey of 5-[5-[2-(2,6-difluorophenoxy)propan-2-yl]-4-methyl-1,2,4-triazol-3-yl]-4,5,6,7-tetrahydro-1H-indazole?
The InChIKey is RNIDBRWDSUKRKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F2N5O/c1-19(2,27-16-13(20)5-4-6-14(16)21)18-25-24-17(26(18)3)11-7-8-15-12(9-11)10-22-23-15/h4-6,10-11H,7-9H2,1-3H3,(H,22,23).
What are the key properties of 5-[5-[2-(2,6-difluorophenoxy)propan-2-yl]-4-methyl-1,2,4-triazol-3-yl]-4,5,6,7-tetrahydro-1H-indazole?
5-[5-[2-(2,6-difluorophenoxy)propan-2-yl]-4-methyl-1,2,4-triazol-3-yl]-4,5,6,7-tetrahydro-1H-indazole has a molecular weight of 373.41 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[2-(2,6-difluorophenoxy)propan-2-yl]-4-methyl-1,2,4-triazol-3-yl]-4,5,6,7-tetrahydro-1H-indazole is sourced from PubChem (CID 58243971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).