2-methyl-1-[5-(2-methyloxolan-3-yl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine

C13H23N5O — CID 102798705

IUPAC2-methyl-1-[5-(2-methyloxolan-3-yl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine
SMILESCC1OCCC1c1nc(N2CCCC(N)C2C)n[nH]1
InChIInChI=1S/C13H23N5O/c1-8-11(14)4-3-6-18(8)13-15-12(16-17-13)10-5-7-19-9(10)2/h8-11H,3-7,14H2,1-2H3,(H,15,16,17)
InChIKeyHJMGVLDTKFBETI-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.01
Rot. Bonds2

About 2-methyl-1-[5-(2-methyloxolan-3-yl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine

2-methyl-1-[5-(2-methyloxolan-3-yl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine (PubChem CID 102798705) has the molecular formula C13H23N5O and a molecular weight of 265.36 g/mol. Its IUPAC name is 2-methyl-1-[5-(2-methyloxolan-3-yl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine.

Molecular Properties

Compound Name2-methyl-1-[5-(2-methyloxolan-3-yl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine
PubChem CID102798705
Molecular FormulaC13H23N5O
Molecular Weight265.36 g/mol
Exact Mass265.19
IUPAC Name2-methyl-1-[5-(2-methyloxolan-3-yl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine
SMILESCC1OCCC1c1nc(N2CCCC(N)C2C)n[nH]1
InChIInChI=1S/C13H23N5O/c1-8-11(14)4-3-6-18(8)13-15-12(16-17-13)10-5-7-19-9(10)2/h8-11H,3-7,14H2,1-2H3,(H,15,16,17)
InChIKeyHJMGVLDTKFBETI-UHFFFAOYSA-N
XLogP1.01
TPSA80.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-methyl-1-[5-(2-methyloxolan-3-yl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine with MolForge

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Related Compounds

2-methyl-1-[5-(2-methylcyclopentyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine
CID 107176897
1-(5-cycloheptyl-1H-1,2,4-triazol-3-yl)-2-methylpiperidin-3-amine
CID 102798588
1-[5-(1,1-dioxothian-2-yl)-1H-1,2,4-triazol-3-yl]-2-methylpiperidin-3-amine
CID 102798774
1-[5-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1H-1,2,4-triazol-3-yl]-2-methylpiperidin-3-amine
CID 102798713
N-methyl-1-[1-[5-(2-methyloxolan-3-yl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]methanamine
CID 102800155
1-[5-(2,4-dimethyl-1,3-oxazol-5-yl)-1H-1,2,4-triazol-3-yl]-2-methylpiperidin-3-amine
CID 102798769
2-methyl-1-[5-(2-methylpyrazol-3-yl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine
CID 102798801
1-[5-(2,5-dimethylfuran-3-yl)-1H-1,2,4-triazol-3-yl]-2-methylpiperidin-3-amine
CID 102798548
2-methyl-1-(5-octyl-1H-1,2,4-triazol-3-yl)piperidin-3-amine
CID 102798574
1-[5-(2-ethyl-5-methylpyrazol-3-yl)-1H-1,2,4-triazol-3-yl]-2-methylpiperidin-3-amine
CID 102798724
1-[5-(1,3-dimethylpyrazol-4-yl)-1H-1,2,4-triazol-3-yl]-2-methylpiperidin-3-amine
CID 102801454
1-[5-(3-bromo-5-fluorophenyl)-1H-1,2,4-triazol-3-yl]-2-methylpiperidin-3-amine
CID 102798795

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[5-(2-methyloxolan-3-yl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine?
The IUPAC name of 2-methyl-1-[5-(2-methyloxolan-3-yl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine (CID 102798705) is 2-methyl-1-[5-(2-methyloxolan-3-yl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine.
What is the SMILES notation for 2-methyl-1-[5-(2-methyloxolan-3-yl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine?
The canonical SMILES for 2-methyl-1-[5-(2-methyloxolan-3-yl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine is CC1OCCC1c1nc(N2CCCC(N)C2C)n[nH]1.
What is the InChIKey of 2-methyl-1-[5-(2-methyloxolan-3-yl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine?
The InChIKey is HJMGVLDTKFBETI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O/c1-8-11(14)4-3-6-18(8)13-15-12(16-17-13)10-5-7-19-9(10)2/h8-11H,3-7,14H2,1-2H3,(H,15,16,17).
What are the key properties of 2-methyl-1-[5-(2-methyloxolan-3-yl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine?
2-methyl-1-[5-(2-methyloxolan-3-yl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine has a molecular weight of 265.36 g/mol, XLogP of 1.01, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[5-(2-methyloxolan-3-yl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine is sourced from PubChem (CID 102798705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).