[3-[4-(2-hydroxypropan-2-yl)triazol-1-yl]azetidin-1-yl]-naphthalen-1-ylmethanone

C19H20N4O2 — CID 75473522

IUPAC[3-[4-(2-hydroxypropan-2-yl)triazol-1-yl]azetidin-1-yl]-naphthalen-1-ylmethanone
SMILESCC(C)(O)c1cn(C2CN(C(=O)c3cccc4ccccc34)C2)nn1
InChIInChI=1S/C19H20N4O2/c1-19(2,25)17-12-23(21-20-17)14-10-22(11-14)18(24)16-9-5-7-13-6-3-4-8-15(13)16/h3-9,12,14,25H,10-11H2,1-2H3
InChIKeySYDHHSRGCOKRLZ-UHFFFAOYSA-N
MW336.40 g/mol
LogP2.36
Rot. Bonds3

About [3-[4-(2-hydroxypropan-2-yl)triazol-1-yl]azetidin-1-yl]-naphthalen-1-ylmethanone

[3-[4-(2-hydroxypropan-2-yl)triazol-1-yl]azetidin-1-yl]-naphthalen-1-ylmethanone (PubChem CID 75473522) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is [3-[4-(2-hydroxypropan-2-yl)triazol-1-yl]azetidin-1-yl]-naphthalen-1-ylmethanone.

Molecular Properties

Compound Name[3-[4-(2-hydroxypropan-2-yl)triazol-1-yl]azetidin-1-yl]-naphthalen-1-ylmethanone
PubChem CID75473522
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC Name[3-[4-(2-hydroxypropan-2-yl)triazol-1-yl]azetidin-1-yl]-naphthalen-1-ylmethanone
SMILESCC(C)(O)c1cn(C2CN(C(=O)c3cccc4ccccc34)C2)nn1
InChIInChI=1S/C19H20N4O2/c1-19(2,25)17-12-23(21-20-17)14-10-22(11-14)18(24)16-9-5-7-13-6-3-4-8-15(13)16/h3-9,12,14,25H,10-11H2,1-2H3
InChIKeySYDHHSRGCOKRLZ-UHFFFAOYSA-N
XLogP2.36
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[4-(2-hydroxypropan-2-yl)triazol-1-yl]piperidin-1-yl]-(2-methylsulfanylphenyl)methanone
CID 46985698
1-[1-(2-naphthalen-1-ylquinoline-4-carbonyl)azetidin-3-yl]triazole-4-carboxamide
CID 146089762
[3-(4-methoxypiperidin-1-yl)azetidin-1-yl]-naphthalen-1-ylmethanone
CID 122243216
[1-(azetidin-3-yl)triazol-4-yl]-naphthalen-1-ylmethanone
CID 116590778
1-[1-(2-phenylbenzoyl)azetidin-3-yl]triazole-4-carboxamide
CID 75473352
[(1S,5S)-6-(cyclopropylmethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-naphthalen-1-ylmethanone
CID 133109725
2-[1-[1-[(3-methoxyphenyl)methyl]azetidin-3-yl]triazol-4-yl]propan-2-ol
CID 75474492
(3-methylpiperidin-1-yl)-naphthalen-1-ylmethanone
CID 4284306
(2-methylsulfanyl-3-pyridinyl)-[3-(4-phenyltriazol-1-yl)azetidin-1-yl]methanone
CID 91624921
[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-naphthalen-1-ylmethanone
CID 102934601
(2-bromophenyl)-[3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]methanone
CID 121190090
[3-[4-[(1R)-1-hydroxyethyl]triazol-1-yl]azetidin-1-yl]-(2-phenylphenyl)methanone
CID 97342668

Frequently Asked Questions

What is the IUPAC name of [3-[4-(2-hydroxypropan-2-yl)triazol-1-yl]azetidin-1-yl]-naphthalen-1-ylmethanone?
The IUPAC name of [3-[4-(2-hydroxypropan-2-yl)triazol-1-yl]azetidin-1-yl]-naphthalen-1-ylmethanone (CID 75473522) is [3-[4-(2-hydroxypropan-2-yl)triazol-1-yl]azetidin-1-yl]-naphthalen-1-ylmethanone.
What is the SMILES notation for [3-[4-(2-hydroxypropan-2-yl)triazol-1-yl]azetidin-1-yl]-naphthalen-1-ylmethanone?
The canonical SMILES for [3-[4-(2-hydroxypropan-2-yl)triazol-1-yl]azetidin-1-yl]-naphthalen-1-ylmethanone is CC(C)(O)c1cn(C2CN(C(=O)c3cccc4ccccc34)C2)nn1.
What is the InChIKey of [3-[4-(2-hydroxypropan-2-yl)triazol-1-yl]azetidin-1-yl]-naphthalen-1-ylmethanone?
The InChIKey is SYDHHSRGCOKRLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-19(2,25)17-12-23(21-20-17)14-10-22(11-14)18(24)16-9-5-7-13-6-3-4-8-15(13)16/h3-9,12,14,25H,10-11H2,1-2H3.
What are the key properties of [3-[4-(2-hydroxypropan-2-yl)triazol-1-yl]azetidin-1-yl]-naphthalen-1-ylmethanone?
[3-[4-(2-hydroxypropan-2-yl)triazol-1-yl]azetidin-1-yl]-naphthalen-1-ylmethanone has a molecular weight of 336.40 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4-(2-hydroxypropan-2-yl)triazol-1-yl]azetidin-1-yl]-naphthalen-1-ylmethanone is sourced from PubChem (CID 75473522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).