4-[7-(dimethoxymethyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]cyclohexan-1-amine

C14H25N5O2 — CID 136837694

IUPAC4-[7-(dimethoxymethyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]cyclohexan-1-amine
SMILESCOC(OC)C1CCNc2nc(C3CCC(N)CC3)nn21
InChIInChI=1S/C14H25N5O2/c1-20-13(21-2)11-7-8-16-14-17-12(18-19(11)14)9-3-5-10(15)6-4-9/h9-11,13H,3-8,15H2,1-2H3,(H,16,17,18)
InChIKeyDURRXUCAPXORJY-UHFFFAOYSA-N
MW295.39 g/mol
LogP1.24
Rot. Bonds4

About 4-[7-(dimethoxymethyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]cyclohexan-1-amine

4-[7-(dimethoxymethyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]cyclohexan-1-amine (PubChem CID 136837694) has the molecular formula C14H25N5O2 and a molecular weight of 295.39 g/mol. Its IUPAC name is 4-[7-(dimethoxymethyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-[7-(dimethoxymethyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]cyclohexan-1-amine
PubChem CID136837694
Molecular FormulaC14H25N5O2
Molecular Weight295.39 g/mol
Exact Mass295.20
IUPAC Name4-[7-(dimethoxymethyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]cyclohexan-1-amine
SMILESCOC(OC)C1CCNc2nc(C3CCC(N)CC3)nn21
InChIInChI=1S/C14H25N5O2/c1-20-13(21-2)11-7-8-16-14-17-12(18-19(11)14)9-3-5-10(15)6-4-9/h9-11,13H,3-8,15H2,1-2H3,(H,16,17,18)
InChIKeyDURRXUCAPXORJY-UHFFFAOYSA-N
XLogP1.24
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

4-(7-propan-2-yl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)cyclohexan-1-amine
CID 136837693
7-(dimethoxymethyl)-2-piperidin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136837460
4-[5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]cyclohexan-1-amine
CID 136837676
7-propan-2-yl-2-(trifluoromethyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 136709329
7-(dimethoxymethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 136839551
2-cyclobutyl-7-(2-methylphenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 136840548
3-bromo-7-(dimethoxymethyl)-2-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136841619
3-(7-propan-2-yl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propan-1-amine
CID 136837668
4-[7-(dimethoxymethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]phenol
CID 136709899
2-cyclobutyl-7-(oxolan-3-yl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 136840545
7-(dimethoxymethyl)-2-heptan-3-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136838293
2-cyclobutyl-7-thiophen-2-yl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 136840532

Frequently Asked Questions

What is the IUPAC name of 4-[7-(dimethoxymethyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]cyclohexan-1-amine?
The IUPAC name of 4-[7-(dimethoxymethyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]cyclohexan-1-amine (CID 136837694) is 4-[7-(dimethoxymethyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]cyclohexan-1-amine.
What is the SMILES notation for 4-[7-(dimethoxymethyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]cyclohexan-1-amine?
The canonical SMILES for 4-[7-(dimethoxymethyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]cyclohexan-1-amine is COC(OC)C1CCNc2nc(C3CCC(N)CC3)nn21.
What is the InChIKey of 4-[7-(dimethoxymethyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]cyclohexan-1-amine?
The InChIKey is DURRXUCAPXORJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O2/c1-20-13(21-2)11-7-8-16-14-17-12(18-19(11)14)9-3-5-10(15)6-4-9/h9-11,13H,3-8,15H2,1-2H3,(H,16,17,18).
What are the key properties of 4-[7-(dimethoxymethyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]cyclohexan-1-amine?
4-[7-(dimethoxymethyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]cyclohexan-1-amine has a molecular weight of 295.39 g/mol, XLogP of 1.24, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-(dimethoxymethyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]cyclohexan-1-amine is sourced from PubChem (CID 136837694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).