(1R)-5-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-2,3-dihydro-1H-inden-1-ol

C13H15N3O2 — CID 114091307

IUPAC(1R)-5-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-2,3-dihydro-1H-inden-1-ol
SMILESCn1ncnc1COc1ccc2c(c1)CC[C@H]2O
InChIInChI=1S/C13H15N3O2/c1-16-13(14-8-15-16)7-18-10-3-4-11-9(6-10)2-5-12(11)17/h3-4,6,8,12,17H,2,5,7H2,1H3/t12-/m1/s1
InChIKeyAHKCGKXLAXBKPB-GFCCVEGCSA-N
MW245.28 g/mol
LogP1.37
Rot. Bonds3

About (1R)-5-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-2,3-dihydro-1H-inden-1-ol

(1R)-5-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-2,3-dihydro-1H-inden-1-ol (PubChem CID 114091307) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is (1R)-5-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-2,3-dihydro-1H-inden-1-ol.

Molecular Properties

Compound Name(1R)-5-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-2,3-dihydro-1H-inden-1-ol
PubChem CID114091307
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name(1R)-5-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-2,3-dihydro-1H-inden-1-ol
SMILESCn1ncnc1COc1ccc2c(c1)CC[C@H]2O
InChIInChI=1S/C13H15N3O2/c1-16-13(14-8-15-16)7-18-10-3-4-11-9(6-10)2-5-12(11)17/h3-4,6,8,12,17H,2,5,7H2,1H3/t12-/m1/s1
InChIKeyAHKCGKXLAXBKPB-GFCCVEGCSA-N
XLogP1.37
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1R)-5-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-2,3-dihydro-1H-inden-1-ol?
The IUPAC name of (1R)-5-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-2,3-dihydro-1H-inden-1-ol (CID 114091307) is (1R)-5-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-2,3-dihydro-1H-inden-1-ol.
What is the SMILES notation for (1R)-5-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-2,3-dihydro-1H-inden-1-ol?
The canonical SMILES for (1R)-5-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-2,3-dihydro-1H-inden-1-ol is Cn1ncnc1COc1ccc2c(c1)CC[C@H]2O.
What is the InChIKey of (1R)-5-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-2,3-dihydro-1H-inden-1-ol?
The InChIKey is AHKCGKXLAXBKPB-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-16-13(14-8-15-16)7-18-10-3-4-11-9(6-10)2-5-12(11)17/h3-4,6,8,12,17H,2,5,7H2,1H3/t12-/m1/s1.
What are the key properties of (1R)-5-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-2,3-dihydro-1H-inden-1-ol?
(1R)-5-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-2,3-dihydro-1H-inden-1-ol has a molecular weight of 245.28 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-5-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-2,3-dihydro-1H-inden-1-ol is sourced from PubChem (CID 114091307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).