(1S)-1-[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]phenyl]propan-1-ol

C14H19N3O2 — CID 78930150

IUPAC(1S)-1-[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]phenyl]propan-1-ol
SMILESCC[C@H](O)c1ccccc1OCc1nnc(C)n1C
InChIInChI=1S/C14H19N3O2/c1-4-12(18)11-7-5-6-8-13(11)19-9-14-16-15-10(2)17(14)3/h5-8,12,18H,4,9H2,1-3H3/t12-/m0/s1
InChIKeyZLELTNHCECTQSE-LBPRGKRZSA-N
MW261.32 g/mol
LogP2.15
Rot. Bonds5

About (1S)-1-[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]phenyl]propan-1-ol

(1S)-1-[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]phenyl]propan-1-ol (PubChem CID 78930150) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is (1S)-1-[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]phenyl]propan-1-ol.

Molecular Properties

Compound Name(1S)-1-[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]phenyl]propan-1-ol
PubChem CID78930150
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name(1S)-1-[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]phenyl]propan-1-ol
SMILESCC[C@H](O)c1ccccc1OCc1nnc(C)n1C
InChIInChI=1S/C14H19N3O2/c1-4-12(18)11-7-5-6-8-13(11)19-9-14-16-15-10(2)17(14)3/h5-8,12,18H,4,9H2,1-3H3/t12-/m0/s1
InChIKeyZLELTNHCECTQSE-LBPRGKRZSA-N
XLogP2.15
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-[(1-ethylimidazol-2-yl)methoxy]phenyl]propan-1-ol
CID 55109330
1-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethoxy)phenyl]propan-1-ol
CID 107078070
(1S)-1-(2-phenylmethoxyphenyl)propan-1-ol
CID 63365062
(1R)-1-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]propan-1-ol
CID 55189160
(1S)-1-[2-[(2-ethyl-5-methylpyrazol-3-yl)methoxy]phenyl]propan-1-ol
CID 79025693
(1S)-1-[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]-4-fluorophenyl]ethanol
CID 78932436
(1R)-1-[2-[(3-methyl-2-pyridinyl)methoxy]phenyl]propan-1-ol
CID 103954577
(1S)-1-[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]-4-methylphenyl]ethanol
CID 63650922
1-[4-bromo-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]phenyl]ethanol
CID 102948495
1-[4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]-3-methoxyphenyl]ethanol
CID 43524917
(1S)-1-[2-[(3,4-dimethylphenyl)methoxy]phenyl]propan-1-ol
CID 63364047
(1R)-1-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]propan-1-ol
CID 63365311

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]phenyl]propan-1-ol?
The IUPAC name of (1S)-1-[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]phenyl]propan-1-ol (CID 78930150) is (1S)-1-[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]phenyl]propan-1-ol.
What is the SMILES notation for (1S)-1-[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]phenyl]propan-1-ol?
The canonical SMILES for (1S)-1-[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]phenyl]propan-1-ol is CC[C@H](O)c1ccccc1OCc1nnc(C)n1C.
What is the InChIKey of (1S)-1-[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]phenyl]propan-1-ol?
The InChIKey is ZLELTNHCECTQSE-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-4-12(18)11-7-5-6-8-13(11)19-9-14-16-15-10(2)17(14)3/h5-8,12,18H,4,9H2,1-3H3/t12-/m0/s1.
What are the key properties of (1S)-1-[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]phenyl]propan-1-ol?
(1S)-1-[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]phenyl]propan-1-ol has a molecular weight of 261.32 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]phenyl]propan-1-ol is sourced from PubChem (CID 78930150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).