(1R,3R,5R)-2-tert-butyl-5-[(4-cyclopropyltriazol-2-yl)methyl]-3-methyl-2-azabicyclo[3.1.0]hexane

C16H26N4 — CID 176632051

IUPAC(1R,3R,5R)-2-tert-butyl-5-[(4-cyclopropyltriazol-2-yl)methyl]-3-methyl-2-azabicyclo[3.1.0]hexane
SMILESC[C@@H]1C[C@@]2(Cn3ncc(C4CC4)n3)C[C@H]2N1C(C)(C)C
InChIInChI=1S/C16H26N4/c1-11-7-16(8-14(16)20(11)15(2,3)4)10-19-17-9-13(18-19)12-5-6-12/h9,11-12,14H,5-8,10H2,1-4H3/t11-,14-,16+/m1/s1
InChIKeyGMNNORKEJMONHJ-XFJVYGCCSA-N
MW274.41 g/mol
LogP2.81
Rot. Bonds3

About (1R,3R,5R)-2-tert-butyl-5-[(4-cyclopropyltriazol-2-yl)methyl]-3-methyl-2-azabicyclo[3.1.0]hexane

(1R,3R,5R)-2-tert-butyl-5-[(4-cyclopropyltriazol-2-yl)methyl]-3-methyl-2-azabicyclo[3.1.0]hexane (PubChem CID 176632051) has the molecular formula C16H26N4 and a molecular weight of 274.41 g/mol. Its IUPAC name is (1R,3R,5R)-2-tert-butyl-5-[(4-cyclopropyltriazol-2-yl)methyl]-3-methyl-2-azabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name(1R,3R,5R)-2-tert-butyl-5-[(4-cyclopropyltriazol-2-yl)methyl]-3-methyl-2-azabicyclo[3.1.0]hexane
PubChem CID176632051
Molecular FormulaC16H26N4
Molecular Weight274.41 g/mol
Exact Mass274.22
IUPAC Name(1R,3R,5R)-2-tert-butyl-5-[(4-cyclopropyltriazol-2-yl)methyl]-3-methyl-2-azabicyclo[3.1.0]hexane
SMILESC[C@@H]1C[C@@]2(Cn3ncc(C4CC4)n3)C[C@H]2N1C(C)(C)C
InChIInChI=1S/C16H26N4/c1-11-7-16(8-14(16)20(11)15(2,3)4)10-19-17-9-13(18-19)12-5-6-12/h9,11-12,14H,5-8,10H2,1-4H3/t11-,14-,16+/m1/s1
InChIKeyGMNNORKEJMONHJ-XFJVYGCCSA-N
XLogP2.81
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (1R,3R,5R)-2-tert-butyl-5-[(4-cyclopropyltriazol-2-yl)methyl]-3-methyl-2-azabicyclo[3.1.0]hexane with MolForge

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Related Compounds

2-[[(1R,3R,5R)-2-tert-butyl-3-methyl-2-azabicyclo[3.1.0]hexan-5-yl]methyl]-5-propan-2-yl-1,3-thiazole
CID 176632013
2-[[(3R)-2-tert-butyl-3-methyl-2-azabicyclo[3.1.0]hexan-5-yl]methyl]-2-azaspiro[3.3]heptane
CID 176632123
1-[4-[[(1R,3R,5R)-2-tert-butyl-3-methyl-2-azabicyclo[3.1.0]hexan-5-yl]methyl]piperazin-1-yl]ethanone
CID 176632061
(3R,5R)-2-tert-butyl-3-methyl-5-[(1-methylpiperidin-4-yl)methyl]-2-azabicyclo[3.1.0]hexane
CID 170080212
N-[[(1R,3R,5R)-2-tert-butyl-3-methyl-2-azabicyclo[3.1.0]hexan-5-yl]methyl]-1-(2-fluorophenyl)methanamine
CID 153298312
3-(2-ethyltriazol-4-yl)piperidine
CID 10012528
3-cyclobutyl-N-(2,2-dimethylpropyl)-1-methylpyrazol-5-amine
CID 115702975
3-cyclopropyl-1-methyl-N-[[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methyl]pyrazol-5-amine
CID 122167900
1-tert-butyl-3-cyclopropylpyrazole-5-carbaldehyde
CID 155977856
3-cyclopropyl-1-methyl-N-[(2-methylpyrazol-3-yl)methyl]pyrazol-5-amine;hydrochloride
CID 126964555
2-(1-tert-butyl-5-cyclopropylpyrazol-4-yl)ethanamine
CID 105461090
2-tert-butyl-5-cyclopropylpyrazine
CID 90224246

Frequently Asked Questions

What is the IUPAC name of (1R,3R,5R)-2-tert-butyl-5-[(4-cyclopropyltriazol-2-yl)methyl]-3-methyl-2-azabicyclo[3.1.0]hexane?
The IUPAC name of (1R,3R,5R)-2-tert-butyl-5-[(4-cyclopropyltriazol-2-yl)methyl]-3-methyl-2-azabicyclo[3.1.0]hexane (CID 176632051) is (1R,3R,5R)-2-tert-butyl-5-[(4-cyclopropyltriazol-2-yl)methyl]-3-methyl-2-azabicyclo[3.1.0]hexane.
What is the SMILES notation for (1R,3R,5R)-2-tert-butyl-5-[(4-cyclopropyltriazol-2-yl)methyl]-3-methyl-2-azabicyclo[3.1.0]hexane?
The canonical SMILES for (1R,3R,5R)-2-tert-butyl-5-[(4-cyclopropyltriazol-2-yl)methyl]-3-methyl-2-azabicyclo[3.1.0]hexane is C[C@@H]1C[C@@]2(Cn3ncc(C4CC4)n3)C[C@H]2N1C(C)(C)C.
What is the InChIKey of (1R,3R,5R)-2-tert-butyl-5-[(4-cyclopropyltriazol-2-yl)methyl]-3-methyl-2-azabicyclo[3.1.0]hexane?
The InChIKey is GMNNORKEJMONHJ-XFJVYGCCSA-N. The full InChI is InChI=1S/C16H26N4/c1-11-7-16(8-14(16)20(11)15(2,3)4)10-19-17-9-13(18-19)12-5-6-12/h9,11-12,14H,5-8,10H2,1-4H3/t11-,14-,16+/m1/s1.
What are the key properties of (1R,3R,5R)-2-tert-butyl-5-[(4-cyclopropyltriazol-2-yl)methyl]-3-methyl-2-azabicyclo[3.1.0]hexane?
(1R,3R,5R)-2-tert-butyl-5-[(4-cyclopropyltriazol-2-yl)methyl]-3-methyl-2-azabicyclo[3.1.0]hexane has a molecular weight of 274.41 g/mol, XLogP of 2.81, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3R,5R)-2-tert-butyl-5-[(4-cyclopropyltriazol-2-yl)methyl]-3-methyl-2-azabicyclo[3.1.0]hexane is sourced from PubChem (CID 176632051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).