N-[(1-tert-butyltriazol-4-yl)methyl]-5-cyclopropyl-1,3,4-oxadiazol-2-amine

C12H18N6O — CID 136535513

IUPACN-[(1-tert-butyltriazol-4-yl)methyl]-5-cyclopropyl-1,3,4-oxadiazol-2-amine
SMILESCC(C)(C)n1cc(CNc2nnc(C3CC3)o2)nn1
InChIInChI=1S/C12H18N6O/c1-12(2,3)18-7-9(14-17-18)6-13-11-16-15-10(19-11)8-4-5-8/h7-8H,4-6H2,1-3H3,(H,13,16)
InChIKeyIEKPMKGOKKUHMV-UHFFFAOYSA-N
MW262.32 g/mol
LogP1.91
Rot. Bonds4

About N-[(1-tert-butyltriazol-4-yl)methyl]-5-cyclopropyl-1,3,4-oxadiazol-2-amine

N-[(1-tert-butyltriazol-4-yl)methyl]-5-cyclopropyl-1,3,4-oxadiazol-2-amine (PubChem CID 136535513) has the molecular formula C12H18N6O and a molecular weight of 262.32 g/mol. Its IUPAC name is N-[(1-tert-butyltriazol-4-yl)methyl]-5-cyclopropyl-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-[(1-tert-butyltriazol-4-yl)methyl]-5-cyclopropyl-1,3,4-oxadiazol-2-amine
PubChem CID136535513
Molecular FormulaC12H18N6O
Molecular Weight262.32 g/mol
Exact Mass262.15
IUPAC NameN-[(1-tert-butyltriazol-4-yl)methyl]-5-cyclopropyl-1,3,4-oxadiazol-2-amine
SMILESCC(C)(C)n1cc(CNc2nnc(C3CC3)o2)nn1
InChIInChI=1S/C12H18N6O/c1-12(2,3)18-7-9(14-17-18)6-13-11-16-15-10(19-11)8-4-5-8/h7-8H,4-6H2,1-3H3,(H,13,16)
InChIKeyIEKPMKGOKKUHMV-UHFFFAOYSA-N
XLogP1.91
TPSA81.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.32
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(1-tert-butyltriazol-4-yl)methyl]-5-cyclopropyl-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-[(1-tert-butyltriazol-4-yl)methyl]-5-cyclopropyl-1,3,4-oxadiazol-2-amine (CID 136535513) is N-[(1-tert-butyltriazol-4-yl)methyl]-5-cyclopropyl-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-[(1-tert-butyltriazol-4-yl)methyl]-5-cyclopropyl-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-[(1-tert-butyltriazol-4-yl)methyl]-5-cyclopropyl-1,3,4-oxadiazol-2-amine is CC(C)(C)n1cc(CNc2nnc(C3CC3)o2)nn1.
What is the InChIKey of N-[(1-tert-butyltriazol-4-yl)methyl]-5-cyclopropyl-1,3,4-oxadiazol-2-amine?
The InChIKey is IEKPMKGOKKUHMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6O/c1-12(2,3)18-7-9(14-17-18)6-13-11-16-15-10(19-11)8-4-5-8/h7-8H,4-6H2,1-3H3,(H,13,16).
What are the key properties of N-[(1-tert-butyltriazol-4-yl)methyl]-5-cyclopropyl-1,3,4-oxadiazol-2-amine?
N-[(1-tert-butyltriazol-4-yl)methyl]-5-cyclopropyl-1,3,4-oxadiazol-2-amine has a molecular weight of 262.32 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-tert-butyltriazol-4-yl)methyl]-5-cyclopropyl-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 136535513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).