(1S,5R)-6-(1,2,4-triazol-4-yl)-3-azabicyclo[3.1.0]hexane

C7H10N4 — CID 118222920

IUPAC(1S,5R)-6-(1,2,4-triazol-4-yl)-3-azabicyclo[3.1.0]hexane
SMILESc1nncn1C1[C@H]2CNC[C@@H]12
InChIInChI=1S/C7H10N4/c1-5-6(2-8-1)7(5)11-3-9-10-4-11/h3-8H,1-2H2/t5-,6+,7?
InChIKeySFXVDDCAOLDPIL-MEKDEQNOSA-N
MW150.19 g/mol
LogP-0.33
Rot. Bonds1

About (1S,5R)-6-(1,2,4-triazol-4-yl)-3-azabicyclo[3.1.0]hexane

(1S,5R)-6-(1,2,4-triazol-4-yl)-3-azabicyclo[3.1.0]hexane (PubChem CID 118222920) has the molecular formula C7H10N4 and a molecular weight of 150.19 g/mol. Its IUPAC name is (1S,5R)-6-(1,2,4-triazol-4-yl)-3-azabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name(1S,5R)-6-(1,2,4-triazol-4-yl)-3-azabicyclo[3.1.0]hexane
PubChem CID118222920
Molecular FormulaC7H10N4
Molecular Weight150.19 g/mol
Exact Mass150.09
IUPAC Name(1S,5R)-6-(1,2,4-triazol-4-yl)-3-azabicyclo[3.1.0]hexane
SMILESc1nncn1C1[C@H]2CNC[C@@H]12
InChIInChI=1S/C7H10N4/c1-5-6(2-8-1)7(5)11-3-9-10-4-11/h3-8H,1-2H2/t5-,6+,7?
InChIKeySFXVDDCAOLDPIL-MEKDEQNOSA-N
XLogP-0.33
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.19
LogP ≤ 5-0.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1S,5R)-6-(1,2,4-triazol-4-yl)-3-azabicyclo[3.1.0]hexane?
The IUPAC name of (1S,5R)-6-(1,2,4-triazol-4-yl)-3-azabicyclo[3.1.0]hexane (CID 118222920) is (1S,5R)-6-(1,2,4-triazol-4-yl)-3-azabicyclo[3.1.0]hexane.
What is the SMILES notation for (1S,5R)-6-(1,2,4-triazol-4-yl)-3-azabicyclo[3.1.0]hexane?
The canonical SMILES for (1S,5R)-6-(1,2,4-triazol-4-yl)-3-azabicyclo[3.1.0]hexane is c1nncn1C1[C@H]2CNC[C@@H]12.
What is the InChIKey of (1S,5R)-6-(1,2,4-triazol-4-yl)-3-azabicyclo[3.1.0]hexane?
The InChIKey is SFXVDDCAOLDPIL-MEKDEQNOSA-N. The full InChI is InChI=1S/C7H10N4/c1-5-6(2-8-1)7(5)11-3-9-10-4-11/h3-8H,1-2H2/t5-,6+,7?.
What are the key properties of (1S,5R)-6-(1,2,4-triazol-4-yl)-3-azabicyclo[3.1.0]hexane?
(1S,5R)-6-(1,2,4-triazol-4-yl)-3-azabicyclo[3.1.0]hexane has a molecular weight of 150.19 g/mol, XLogP of -0.33, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-6-(1,2,4-triazol-4-yl)-3-azabicyclo[3.1.0]hexane is sourced from PubChem (CID 118222920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).