[6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-[3-(hydroxymethyl)cyclobutyl]methanone

C17H24N4O2 — CID 170565661

IUPAC[6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-[3-(hydroxymethyl)cyclobutyl]methanone
SMILESO=C(C1CC(CO)C1)N1CC2(CC(n3cnc(C4CC4)n3)C2)C1
InChIInChI=1S/C17H24N4O2/c22-7-11-3-13(4-11)16(23)20-8-17(9-20)5-14(6-17)21-10-18-15(19-21)12-1-2-12/h10-14,22H,1-9H2
InChIKeyGJFNYWWZLIUTAM-UHFFFAOYSA-N
MW316.41 g/mol
LogP1.34
Rot. Bonds4

About [6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-[3-(hydroxymethyl)cyclobutyl]methanone

[6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-[3-(hydroxymethyl)cyclobutyl]methanone (PubChem CID 170565661) has the molecular formula C17H24N4O2 and a molecular weight of 316.41 g/mol. Its IUPAC name is [6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-[3-(hydroxymethyl)cyclobutyl]methanone.

Molecular Properties

Compound Name[6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-[3-(hydroxymethyl)cyclobutyl]methanone
PubChem CID170565661
Molecular FormulaC17H24N4O2
Molecular Weight316.41 g/mol
Exact Mass316.19
IUPAC Name[6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-[3-(hydroxymethyl)cyclobutyl]methanone
SMILESO=C(C1CC(CO)C1)N1CC2(CC(n3cnc(C4CC4)n3)C2)C1
InChIInChI=1S/C17H24N4O2/c22-7-11-3-13(4-11)16(23)20-8-17(9-20)5-14(6-17)21-10-18-15(19-21)12-1-2-12/h10-14,22H,1-9H2
InChIKeyGJFNYWWZLIUTAM-UHFFFAOYSA-N
XLogP1.34
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[6-(3-Cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-[3-[[1-(trifluoromethyl)cyclopropyl]methoxymethyl]cyclobutyl]methanone
CID 170565957
N-[5-[6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-1-methoxy-5-oxopentan-2-yl]formamide
CID 162746018
(4S)-4-[3-[6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-3-oxopropyl]oxolan-2-one
CID 164963488
[6-(3-Cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-(6-hydroxy-2-azaspiro[3.3]heptan-2-yl)methanone
CID 170565773

Frequently Asked Questions

What is the IUPAC name of [6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-[3-(hydroxymethyl)cyclobutyl]methanone?
The IUPAC name of [6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-[3-(hydroxymethyl)cyclobutyl]methanone (CID 170565661) is [6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-[3-(hydroxymethyl)cyclobutyl]methanone.
What is the SMILES notation for [6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-[3-(hydroxymethyl)cyclobutyl]methanone?
The canonical SMILES for [6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-[3-(hydroxymethyl)cyclobutyl]methanone is O=C(C1CC(CO)C1)N1CC2(CC(n3cnc(C4CC4)n3)C2)C1.
What is the InChIKey of [6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-[3-(hydroxymethyl)cyclobutyl]methanone?
The InChIKey is GJFNYWWZLIUTAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2/c22-7-11-3-13(4-11)16(23)20-8-17(9-20)5-14(6-17)21-10-18-15(19-21)12-1-2-12/h10-14,22H,1-9H2.
What are the key properties of [6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-[3-(hydroxymethyl)cyclobutyl]methanone?
[6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-[3-(hydroxymethyl)cyclobutyl]methanone has a molecular weight of 316.41 g/mol, XLogP of 1.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-[3-(hydroxymethyl)cyclobutyl]methanone is sourced from PubChem (CID 170565661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).