3-(3-oxabicyclo[3.1.0]hexan-6-yl)-4-propan-2-yl-1,2,4-triazole

C10H15N3O — CID 130965055

IUPAC3-(3-oxabicyclo[3.1.0]hexan-6-yl)-4-propan-2-yl-1,2,4-triazole
SMILESCC(C)n1cnnc1C1C2COCC21
InChIInChI=1S/C10H15N3O/c1-6(2)13-5-11-12-10(13)9-7-3-14-4-8(7)9/h5-9H,3-4H2,1-2H3
InChIKeyMSZQJUHBOXKLTG-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.22
Rot. Bonds2

About 3-(3-oxabicyclo[3.1.0]hexan-6-yl)-4-propan-2-yl-1,2,4-triazole

3-(3-oxabicyclo[3.1.0]hexan-6-yl)-4-propan-2-yl-1,2,4-triazole (PubChem CID 130965055) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is 3-(3-oxabicyclo[3.1.0]hexan-6-yl)-4-propan-2-yl-1,2,4-triazole.

Molecular Properties

Compound Name3-(3-oxabicyclo[3.1.0]hexan-6-yl)-4-propan-2-yl-1,2,4-triazole
PubChem CID130965055
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC Name3-(3-oxabicyclo[3.1.0]hexan-6-yl)-4-propan-2-yl-1,2,4-triazole
SMILESCC(C)n1cnnc1C1C2COCC21
InChIInChI=1S/C10H15N3O/c1-6(2)13-5-11-12-10(13)9-7-3-14-4-8(7)9/h5-9H,3-4H2,1-2H3
InChIKeyMSZQJUHBOXKLTG-UHFFFAOYSA-N
XLogP1.22
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-methyl-4H-1,2,4-triazol-3-yl)-1-(tetrahydrofuran-3-ylmethyl)piperidine
CID 74237197
4-(4-methyl-4H-1,2,4-triazol-3-yl)-1-(tetrahydro-2H-pyran-3-ylmethyl)piperidine
CID 91832863
3-Tert-butyl-5-(oxan-4-yl)-4-propan-2-yl-1,2,4-triazole
CID 59485489
5-(Oxan-4-yl)-1-propan-2-yl-1,2,4-triazole
CID 67734820
4-Ethyl-3-(oxan-3-yl)-1,2,4-triazole
CID 115394846
4-Methyl-3-(oxan-4-yl)-1,2,4-triazole
CID 115395424
1-Methyl-5-(oxan-4-ylmethyl)-1,2,4-triazole
CID 141181282
4-(Oxan-4-yl)-3-propan-2-yl-1,2,4-triazole
CID 146430980
5-[4-[4-Methyl-5-(oxan-4-yl)-1,2,4-triazol-3-yl]butyl]-5-azaspiro[2.4]heptane
CID 156448060
N-[[4-[(2-methyl-1,2,4-triazol-3-yl)methyl]oxan-4-yl]methyl]cyclopropanamine
CID 65616216
N-[[4-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]oxan-4-yl]methyl]cyclopropanamine
CID 65620951
N-[[4-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]oxan-4-yl]methyl]cyclopropanamine
CID 65620952

Frequently Asked Questions

What is the IUPAC name of 3-(3-oxabicyclo[3.1.0]hexan-6-yl)-4-propan-2-yl-1,2,4-triazole?
The IUPAC name of 3-(3-oxabicyclo[3.1.0]hexan-6-yl)-4-propan-2-yl-1,2,4-triazole (CID 130965055) is 3-(3-oxabicyclo[3.1.0]hexan-6-yl)-4-propan-2-yl-1,2,4-triazole.
What is the SMILES notation for 3-(3-oxabicyclo[3.1.0]hexan-6-yl)-4-propan-2-yl-1,2,4-triazole?
The canonical SMILES for 3-(3-oxabicyclo[3.1.0]hexan-6-yl)-4-propan-2-yl-1,2,4-triazole is CC(C)n1cnnc1C1C2COCC21.
What is the InChIKey of 3-(3-oxabicyclo[3.1.0]hexan-6-yl)-4-propan-2-yl-1,2,4-triazole?
The InChIKey is MSZQJUHBOXKLTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O/c1-6(2)13-5-11-12-10(13)9-7-3-14-4-8(7)9/h5-9H,3-4H2,1-2H3.
What are the key properties of 3-(3-oxabicyclo[3.1.0]hexan-6-yl)-4-propan-2-yl-1,2,4-triazole?
3-(3-oxabicyclo[3.1.0]hexan-6-yl)-4-propan-2-yl-1,2,4-triazole has a molecular weight of 193.25 g/mol, XLogP of 1.22, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-oxabicyclo[3.1.0]hexan-6-yl)-4-propan-2-yl-1,2,4-triazole is sourced from PubChem (CID 130965055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).