3-propan-2-ylspiro[5,7-dihydropyrrolo[2,1-c][1,2,4]triazole-6,3'-oxetane]

C10H15N3O — CID 155157432

IUPAC3-propan-2-ylspiro[5,7-dihydropyrrolo[2,1-c][1,2,4]triazole-6,3'-oxetane]
SMILESCC(C)c1nnc2n1CC1(COC1)C2
InChIInChI=1S/C10H15N3O/c1-7(2)9-12-11-8-3-10(4-13(8)9)5-14-6-10/h7H,3-6H2,1-2H3
InChIKeyJYBVGXIEYWHNNU-UHFFFAOYSA-N
MW193.25 g/mol
LogP0.97
Rot. Bonds1

About 3-propan-2-ylspiro[5,7-dihydropyrrolo[2,1-c][1,2,4]triazole-6,3'-oxetane]

3-propan-2-ylspiro[5,7-dihydropyrrolo[2,1-c][1,2,4]triazole-6,3'-oxetane] (PubChem CID 155157432) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is 3-propan-2-ylspiro[5,7-dihydropyrrolo[2,1-c][1,2,4]triazole-6,3'-oxetane].

Molecular Properties

Compound Name3-propan-2-ylspiro[5,7-dihydropyrrolo[2,1-c][1,2,4]triazole-6,3'-oxetane]
PubChem CID155157432
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC Name3-propan-2-ylspiro[5,7-dihydropyrrolo[2,1-c][1,2,4]triazole-6,3'-oxetane]
SMILESCC(C)c1nnc2n1CC1(COC1)C2
InChIInChI=1S/C10H15N3O/c1-7(2)9-12-11-8-3-10(4-13(8)9)5-14-6-10/h7H,3-6H2,1-2H3
InChIKeyJYBVGXIEYWHNNU-UHFFFAOYSA-N
XLogP0.97
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-propan-2-ylspiro[5,7-dihydropyrrolo[2,1-c][1,2,4]triazole-6,3'-oxetane] with MolForge

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Related Compounds

3,7,7-Trimethyl-5,6-dihydropyrrolo[2,1-c][1,2,4]triazole
CID 59299775
3,4-Dimethyl-5-(oxolan-3-yl)-1,2,4-triazole
CID 145396936
6,6-Dimethyl-3-propan-2-yl-5,7-dihydropyrrolo[2,1-c][1,2,4]triazole
CID 172632360
3-Chloro-5-methyl-4-(oxolan-3-ylmethyl)-1,2,4-triazole
CID 63385730
3-Chloro-5-ethyl-4-(oxolan-3-ylmethyl)-1,2,4-triazole
CID 63385732
3-Chloro-4-(oxolan-3-ylmethyl)-5-propyl-1,2,4-triazole
CID 63385779
3-Chloro-4-(oxolan-3-ylmethyl)-5-propan-2-yl-1,2,4-triazole
CID 63385780
3-Tert-butyl-5-chloro-4-(oxolan-3-ylmethyl)-1,2,4-triazole
CID 63385782
3-Chloro-4-(4-methoxy-2,2-dimethylbutyl)-5-propan-2-yl-1,2,4-triazole
CID 105889103
4-Ethyl-3-(oxolan-3-yl)-1,2,4-triazole
CID 115394766
3-(Oxolan-3-yl)-4-propyl-1,2,4-triazole
CID 115395054
3-(Bromomethyl)-4-ethyl-5-(oxolan-3-yl)-1,2,4-triazole
CID 115399631

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-ylspiro[5,7-dihydropyrrolo[2,1-c][1,2,4]triazole-6,3'-oxetane]?
The IUPAC name of 3-propan-2-ylspiro[5,7-dihydropyrrolo[2,1-c][1,2,4]triazole-6,3'-oxetane] (CID 155157432) is 3-propan-2-ylspiro[5,7-dihydropyrrolo[2,1-c][1,2,4]triazole-6,3'-oxetane].
What is the SMILES notation for 3-propan-2-ylspiro[5,7-dihydropyrrolo[2,1-c][1,2,4]triazole-6,3'-oxetane]?
The canonical SMILES for 3-propan-2-ylspiro[5,7-dihydropyrrolo[2,1-c][1,2,4]triazole-6,3'-oxetane] is CC(C)c1nnc2n1CC1(COC1)C2.
What is the InChIKey of 3-propan-2-ylspiro[5,7-dihydropyrrolo[2,1-c][1,2,4]triazole-6,3'-oxetane]?
The InChIKey is JYBVGXIEYWHNNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O/c1-7(2)9-12-11-8-3-10(4-13(8)9)5-14-6-10/h7H,3-6H2,1-2H3.
What are the key properties of 3-propan-2-ylspiro[5,7-dihydropyrrolo[2,1-c][1,2,4]triazole-6,3'-oxetane]?
3-propan-2-ylspiro[5,7-dihydropyrrolo[2,1-c][1,2,4]triazole-6,3'-oxetane] has a molecular weight of 193.25 g/mol, XLogP of 0.97, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-ylspiro[5,7-dihydropyrrolo[2,1-c][1,2,4]triazole-6,3'-oxetane] is sourced from PubChem (CID 155157432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).