1H-indol-5-yl-[3-(triazol-1-ylmethyl)azetidin-1-yl]methanone

C15H15N5O — CID 126857921

IUPAC1H-indol-5-yl-[3-(triazol-1-ylmethyl)azetidin-1-yl]methanone
SMILESO=C(c1ccc2[nH]ccc2c1)N1CC(Cn2ccnn2)C1
InChIInChI=1S/C15H15N5O/c21-15(13-1-2-14-12(7-13)3-4-16-14)19-8-11(9-19)10-20-6-5-17-18-20/h1-7,11,16H,8-10H2
InChIKeyYGCLFZZRLKQACK-UHFFFAOYSA-N
MW281.32 g/mol
LogP1.53
Rot. Bonds3

About 1H-indol-5-yl-[3-(triazol-1-ylmethyl)azetidin-1-yl]methanone

1H-indol-5-yl-[3-(triazol-1-ylmethyl)azetidin-1-yl]methanone (PubChem CID 126857921) has the molecular formula C15H15N5O and a molecular weight of 281.32 g/mol. Its IUPAC name is 1H-indol-5-yl-[3-(triazol-1-ylmethyl)azetidin-1-yl]methanone.

Molecular Properties

Compound Name1H-indol-5-yl-[3-(triazol-1-ylmethyl)azetidin-1-yl]methanone
PubChem CID126857921
Molecular FormulaC15H15N5O
Molecular Weight281.32 g/mol
Exact Mass281.13
IUPAC Name1H-indol-5-yl-[3-(triazol-1-ylmethyl)azetidin-1-yl]methanone
SMILESO=C(c1ccc2[nH]ccc2c1)N1CC(Cn2ccnn2)C1
InChIInChI=1S/C15H15N5O/c21-15(13-1-2-14-12(7-13)3-4-16-14)19-8-11(9-19)10-20-6-5-17-18-20/h1-7,11,16H,8-10H2
InChIKeyYGCLFZZRLKQACK-UHFFFAOYSA-N
XLogP1.53
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-methoxy-2-methylindazol-6-yl)-[3-(triazol-1-ylmethyl)azetidin-1-yl]methanone
CID 126857917
[3-(2-hydroxyethyl)pyrrolidin-1-yl]-(1H-indol-5-yl)methanone
CID 115775238
1H-indol-5-yl-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methanone
CID 121185245
7-[3-(triazol-1-ylmethyl)pyrrolidine-1-carbonyl]-3H-quinazolin-4-one
CID 167962226
[(3aR,7aS)-5-amino-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]-(1H-indol-5-yl)methanone
CID 63749321
[3-(1H-benzimidazol-2-yl)azetidin-1-yl]-(1H-indol-5-yl)methanone
CID 90505803
[4-[(dimethylamino)methyl]piperidin-1-yl]-(1H-indol-5-yl)methanone
CID 63723758
[3-(2-ethylphenoxy)azetidin-1-yl]-(1H-indol-5-yl)methanone
CID 70779616
[4-(cyclopropylmethyl)-3-(2-hydroxyethyl)piperazin-1-yl]-(1H-indol-5-yl)methanone
CID 91768627
1H-indol-6-yl-[(3S,5S)-3-methyl-5-[[2-(trifluoromethyl)-3-pyridinyl]oxymethyl]piperidin-1-yl]methanone
CID 166105198
2-[3-[1-(1H-indole-5-carbonyl)piperidin-3-yl]pyrazol-1-yl]acetic acid
CID 119069700
1H-indol-5-yl-[3-(1,3-thiazol-2-yloxy)pyrrolidin-1-yl]methanone
CID 121150506

Frequently Asked Questions

What is the IUPAC name of 1H-indol-5-yl-[3-(triazol-1-ylmethyl)azetidin-1-yl]methanone?
The IUPAC name of 1H-indol-5-yl-[3-(triazol-1-ylmethyl)azetidin-1-yl]methanone (CID 126857921) is 1H-indol-5-yl-[3-(triazol-1-ylmethyl)azetidin-1-yl]methanone.
What is the SMILES notation for 1H-indol-5-yl-[3-(triazol-1-ylmethyl)azetidin-1-yl]methanone?
The canonical SMILES for 1H-indol-5-yl-[3-(triazol-1-ylmethyl)azetidin-1-yl]methanone is O=C(c1ccc2[nH]ccc2c1)N1CC(Cn2ccnn2)C1.
What is the InChIKey of 1H-indol-5-yl-[3-(triazol-1-ylmethyl)azetidin-1-yl]methanone?
The InChIKey is YGCLFZZRLKQACK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O/c21-15(13-1-2-14-12(7-13)3-4-16-14)19-8-11(9-19)10-20-6-5-17-18-20/h1-7,11,16H,8-10H2.
What are the key properties of 1H-indol-5-yl-[3-(triazol-1-ylmethyl)azetidin-1-yl]methanone?
1H-indol-5-yl-[3-(triazol-1-ylmethyl)azetidin-1-yl]methanone has a molecular weight of 281.32 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indol-5-yl-[3-(triazol-1-ylmethyl)azetidin-1-yl]methanone is sourced from PubChem (CID 126857921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).