(1S)-1-[1-[1-[(2-propan-2-yloxyphenyl)methyl]azetidin-3-yl]triazol-4-yl]ethanol

C17H24N4O2 — CID 97344414

IUPAC(1S)-1-[1-[1-[(2-propan-2-yloxyphenyl)methyl]azetidin-3-yl]triazol-4-yl]ethanol
SMILESCC(C)Oc1ccccc1CN1CC(n2cc([C@H](C)O)nn2)C1
InChIInChI=1S/C17H24N4O2/c1-12(2)23-17-7-5-4-6-14(17)8-20-9-15(10-20)21-11-16(13(3)22)18-19-21/h4-7,11-13,15,22H,8-10H2,1-3H3/t13-/m0/s1
InChIKeyBGBQHGXPFOTRBC-ZDUSSCGKSA-N
MW316.41 g/mol
LogP2.18
Rot. Bonds6

About (1S)-1-[1-[1-[(2-propan-2-yloxyphenyl)methyl]azetidin-3-yl]triazol-4-yl]ethanol

(1S)-1-[1-[1-[(2-propan-2-yloxyphenyl)methyl]azetidin-3-yl]triazol-4-yl]ethanol (PubChem CID 97344414) has the molecular formula C17H24N4O2 and a molecular weight of 316.41 g/mol. Its IUPAC name is (1S)-1-[1-[1-[(2-propan-2-yloxyphenyl)methyl]azetidin-3-yl]triazol-4-yl]ethanol.

Molecular Properties

Compound Name(1S)-1-[1-[1-[(2-propan-2-yloxyphenyl)methyl]azetidin-3-yl]triazol-4-yl]ethanol
PubChem CID97344414
Molecular FormulaC17H24N4O2
Molecular Weight316.41 g/mol
Exact Mass316.19
IUPAC Name(1S)-1-[1-[1-[(2-propan-2-yloxyphenyl)methyl]azetidin-3-yl]triazol-4-yl]ethanol
SMILESCC(C)Oc1ccccc1CN1CC(n2cc([C@H](C)O)nn2)C1
InChIInChI=1S/C17H24N4O2/c1-12(2)23-17-7-5-4-6-14(17)8-20-9-15(10-20)21-11-16(13(3)22)18-19-21/h4-7,11-13,15,22H,8-10H2,1-3H3/t13-/m0/s1
InChIKeyBGBQHGXPFOTRBC-ZDUSSCGKSA-N
XLogP2.18
TPSA63.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (1S)-1-[1-[1-[(2-propan-2-yloxyphenyl)methyl]azetidin-3-yl]triazol-4-yl]ethanol with MolForge

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Related Compounds

1-[1-[(2-propan-2-yloxyphenyl)methyl]piperidin-4-yl]ethanol
CID 111113750
(3S,4S)-4-methyl-1-[(2-propan-2-yloxyphenyl)methyl]pyrrolidine-3-carboxylic acid
CID 122120797
1-[1-[1-[[5-(4-bromophenyl)furan-2-yl]methyl]azetidin-3-yl]triazol-4-yl]ethanol
CID 154806372
1-[(2-propan-2-yloxyphenyl)methyl]pyrrolidine-3-carboxylic acid
CID 119904478
(2R)-2-hydroxy-2-[1-[(2-propan-2-yloxyphenyl)methyl]piperidin-4-yl]acetamide
CID 129489722
1-[(2-propan-2-yloxyphenyl)methyl]piperidine-3-carboxylic acid
CID 54848340
1-[1-[1-(3-methylbutyl)piperidin-4-yl]triazol-4-yl]ethanol
CID 45181874
2-(2-chlorophenyl)sulfanyl-1-[3-[4-[(1R)-1-hydroxyethyl]triazol-1-yl]azetidin-1-yl]ethanone
CID 97342694
[3-[4-[(1R)-1-hydroxyethyl]triazol-1-yl]azetidin-1-yl]-(2-phenylphenyl)methanone
CID 97342668
(3R,4S)-4-(1,5-dimethylpyrazol-4-yl)-1-[(2-propan-2-yloxyphenyl)methyl]pyrrolidine-3-carboxamide
CID 167987924
(1-benzyl-2,5-dimethylpyrrol-3-yl)-[3-[4-(1-hydroxyethyl)triazol-1-yl]azetidin-1-yl]methanone
CID 75473495
1-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-N-propan-2-yltriazole-4-carboxamide
CID 42238606

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[1-[1-[(2-propan-2-yloxyphenyl)methyl]azetidin-3-yl]triazol-4-yl]ethanol?
The IUPAC name of (1S)-1-[1-[1-[(2-propan-2-yloxyphenyl)methyl]azetidin-3-yl]triazol-4-yl]ethanol (CID 97344414) is (1S)-1-[1-[1-[(2-propan-2-yloxyphenyl)methyl]azetidin-3-yl]triazol-4-yl]ethanol.
What is the SMILES notation for (1S)-1-[1-[1-[(2-propan-2-yloxyphenyl)methyl]azetidin-3-yl]triazol-4-yl]ethanol?
The canonical SMILES for (1S)-1-[1-[1-[(2-propan-2-yloxyphenyl)methyl]azetidin-3-yl]triazol-4-yl]ethanol is CC(C)Oc1ccccc1CN1CC(n2cc([C@H](C)O)nn2)C1.
What is the InChIKey of (1S)-1-[1-[1-[(2-propan-2-yloxyphenyl)methyl]azetidin-3-yl]triazol-4-yl]ethanol?
The InChIKey is BGBQHGXPFOTRBC-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-12(2)23-17-7-5-4-6-14(17)8-20-9-15(10-20)21-11-16(13(3)22)18-19-21/h4-7,11-13,15,22H,8-10H2,1-3H3/t13-/m0/s1.
What are the key properties of (1S)-1-[1-[1-[(2-propan-2-yloxyphenyl)methyl]azetidin-3-yl]triazol-4-yl]ethanol?
(1S)-1-[1-[1-[(2-propan-2-yloxyphenyl)methyl]azetidin-3-yl]triazol-4-yl]ethanol has a molecular weight of 316.41 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[1-[1-[(2-propan-2-yloxyphenyl)methyl]azetidin-3-yl]triazol-4-yl]ethanol is sourced from PubChem (CID 97344414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).