N-methyl-2-[[3-(2H-triazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine

C12H18N6O — CID 106483567

IUPACN-methyl-2-[[3-(2H-triazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine
SMILESCNC1CCCCC1Cc1nc(-c2cn[nH]n2)no1
InChIInChI=1S/C12H18N6O/c1-13-9-5-3-2-4-8(9)6-11-15-12(17-19-11)10-7-14-18-16-10/h7-9,13H,2-6H2,1H3,(H,14,16,18)
InChIKeyVFZBDOSYUCIPJJ-UHFFFAOYSA-N
MW262.32 g/mol
LogP1.18
Rot. Bonds4

About N-methyl-2-[[3-(2H-triazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine

N-methyl-2-[[3-(2H-triazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine (PubChem CID 106483567) has the molecular formula C12H18N6O and a molecular weight of 262.32 g/mol. Its IUPAC name is N-methyl-2-[[3-(2H-triazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine.

Molecular Properties

Compound NameN-methyl-2-[[3-(2H-triazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine
PubChem CID106483567
Molecular FormulaC12H18N6O
Molecular Weight262.32 g/mol
Exact Mass262.15
IUPAC NameN-methyl-2-[[3-(2H-triazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine
SMILESCNC1CCCCC1Cc1nc(-c2cn[nH]n2)no1
InChIInChI=1S/C12H18N6O/c1-13-9-5-3-2-4-8(9)6-11-15-12(17-19-11)10-7-14-18-16-10/h7-9,13H,2-6H2,1H3,(H,14,16,18)
InChIKeyVFZBDOSYUCIPJJ-UHFFFAOYSA-N
XLogP1.18
TPSA92.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.32
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-methyl-2-[[3-(2H-triazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine with MolForge

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Related Compounds

2-[[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylcyclohexan-1-amine
CID 106483668
N-methyl-2-[[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine
CID 106483367
N-propyl-2-[[3-(1,3-thiazol-5-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine
CID 106483555
2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-N-propylcyclohexan-1-amine
CID 106483353
N-ethyl-2-[[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine
CID 106483631
3-[[3-(2H-triazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]-1,4-thiazinane 1,1-dioxide
CID 80518747
2-methyl-3-[3-(2H-triazol-4-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 81072867
tert-butyl 3-[[3-(2H-triazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]azetidine-1-carboxylate
CID 102655561
2-[[3-(3,5-dichloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine
CID 106483527
2-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]cyclohexan-1-amine
CID 106483279
4-[3-(2H-triazol-4-yl)-1,2,4-oxadiazol-5-yl]thiolan-3-amine
CID 83201649
3-methyl-4-[3-(2H-triazol-4-yl)-1,2,4-oxadiazol-5-yl]butanenitrile
CID 106526041

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[[3-(2H-triazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine?
The IUPAC name of N-methyl-2-[[3-(2H-triazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine (CID 106483567) is N-methyl-2-[[3-(2H-triazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine.
What is the SMILES notation for N-methyl-2-[[3-(2H-triazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine?
The canonical SMILES for N-methyl-2-[[3-(2H-triazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine is CNC1CCCCC1Cc1nc(-c2cn[nH]n2)no1.
What is the InChIKey of N-methyl-2-[[3-(2H-triazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine?
The InChIKey is VFZBDOSYUCIPJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6O/c1-13-9-5-3-2-4-8(9)6-11-15-12(17-19-11)10-7-14-18-16-10/h7-9,13H,2-6H2,1H3,(H,14,16,18).
What are the key properties of N-methyl-2-[[3-(2H-triazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine?
N-methyl-2-[[3-(2H-triazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine has a molecular weight of 262.32 g/mol, XLogP of 1.18, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[[3-(2H-triazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine is sourced from PubChem (CID 106483567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).