3-[3-[(1R)-1-methoxyethyl]phenyl]-5-propan-2-yl-1H-1,2,4-triazole

C14H19N3O — CID 97434250

IUPAC3-[3-[(1R)-1-methoxyethyl]phenyl]-5-propan-2-yl-1H-1,2,4-triazole
SMILESCO[C@H](C)c1cccc(-c2n[nH]c(C(C)C)n2)c1
InChIInChI=1S/C14H19N3O/c1-9(2)13-15-14(17-16-13)12-7-5-6-11(8-12)10(3)18-4/h5-10H,1-4H3,(H,15,16,17)/t10-/m1/s1
InChIKeyLJICRVNIBPSZRR-SNVBAGLBSA-N
MW245.33 g/mol
LogP3.30
Rot. Bonds4

About 3-[3-[(1R)-1-methoxyethyl]phenyl]-5-propan-2-yl-1H-1,2,4-triazole

3-[3-[(1R)-1-methoxyethyl]phenyl]-5-propan-2-yl-1H-1,2,4-triazole (PubChem CID 97434250) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 3-[3-[(1R)-1-methoxyethyl]phenyl]-5-propan-2-yl-1H-1,2,4-triazole.

Molecular Properties

Compound Name3-[3-[(1R)-1-methoxyethyl]phenyl]-5-propan-2-yl-1H-1,2,4-triazole
PubChem CID97434250
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name3-[3-[(1R)-1-methoxyethyl]phenyl]-5-propan-2-yl-1H-1,2,4-triazole
SMILESCO[C@H](C)c1cccc(-c2n[nH]c(C(C)C)n2)c1
InChIInChI=1S/C14H19N3O/c1-9(2)13-15-14(17-16-13)12-7-5-6-11(8-12)10(3)18-4/h5-10H,1-4H3,(H,15,16,17)/t10-/m1/s1
InChIKeyLJICRVNIBPSZRR-SNVBAGLBSA-N
XLogP3.30
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[3-[(1R)-1-methoxyethyl]phenyl]-5-propan-2-yl-1H-1,2,4-triazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[3-[(1R)-1-methoxyethyl]phenyl]-5-propan-2-yl-1H-1,2,4-triazole?
The IUPAC name of 3-[3-[(1R)-1-methoxyethyl]phenyl]-5-propan-2-yl-1H-1,2,4-triazole (CID 97434250) is 3-[3-[(1R)-1-methoxyethyl]phenyl]-5-propan-2-yl-1H-1,2,4-triazole.
What is the SMILES notation for 3-[3-[(1R)-1-methoxyethyl]phenyl]-5-propan-2-yl-1H-1,2,4-triazole?
The canonical SMILES for 3-[3-[(1R)-1-methoxyethyl]phenyl]-5-propan-2-yl-1H-1,2,4-triazole is CO[C@H](C)c1cccc(-c2n[nH]c(C(C)C)n2)c1.
What is the InChIKey of 3-[3-[(1R)-1-methoxyethyl]phenyl]-5-propan-2-yl-1H-1,2,4-triazole?
The InChIKey is LJICRVNIBPSZRR-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H19N3O/c1-9(2)13-15-14(17-16-13)12-7-5-6-11(8-12)10(3)18-4/h5-10H,1-4H3,(H,15,16,17)/t10-/m1/s1.
What are the key properties of 3-[3-[(1R)-1-methoxyethyl]phenyl]-5-propan-2-yl-1H-1,2,4-triazole?
3-[3-[(1R)-1-methoxyethyl]phenyl]-5-propan-2-yl-1H-1,2,4-triazole has a molecular weight of 245.33 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(1R)-1-methoxyethyl]phenyl]-5-propan-2-yl-1H-1,2,4-triazole is sourced from PubChem (CID 97434250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).