1-[5-(2-methoxypropan-2-yl)-1H-1,2,4-triazol-3-yl]-N-methylpiperidin-4-amine

C12H23N5O — CID 103019797

IUPAC1-[5-(2-methoxypropan-2-yl)-1H-1,2,4-triazol-3-yl]-N-methylpiperidin-4-amine
SMILESCNC1CCN(c2n[nH]c(C(C)(C)OC)n2)CC1
InChIInChI=1S/C12H23N5O/c1-12(2,18-4)10-14-11(16-15-10)17-7-5-9(13-3)6-8-17/h9,13H,5-8H2,1-4H3,(H,14,15,16)
InChIKeyOLKVPNNCADOHSE-UHFFFAOYSA-N
MW253.35 g/mol
LogP0.87
Rot. Bonds4

About 1-[5-(2-methoxypropan-2-yl)-1H-1,2,4-triazol-3-yl]-N-methylpiperidin-4-amine

1-[5-(2-methoxypropan-2-yl)-1H-1,2,4-triazol-3-yl]-N-methylpiperidin-4-amine (PubChem CID 103019797) has the molecular formula C12H23N5O and a molecular weight of 253.35 g/mol. Its IUPAC name is 1-[5-(2-methoxypropan-2-yl)-1H-1,2,4-triazol-3-yl]-N-methylpiperidin-4-amine.

Molecular Properties

Compound Name1-[5-(2-methoxypropan-2-yl)-1H-1,2,4-triazol-3-yl]-N-methylpiperidin-4-amine
PubChem CID103019797
Molecular FormulaC12H23N5O
Molecular Weight253.35 g/mol
Exact Mass253.19
IUPAC Name1-[5-(2-methoxypropan-2-yl)-1H-1,2,4-triazol-3-yl]-N-methylpiperidin-4-amine
SMILESCNC1CCN(c2n[nH]c(C(C)(C)OC)n2)CC1
InChIInChI=1S/C12H23N5O/c1-12(2,18-4)10-14-11(16-15-10)17-7-5-9(13-3)6-8-17/h9,13H,5-8H2,1-4H3,(H,14,15,16)
InChIKeyOLKVPNNCADOHSE-UHFFFAOYSA-N
XLogP0.87
TPSA66.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-(2-methoxypropan-2-yl)-1H-1,2,4-triazol-3-yl]-3,5-dimethylpiperazine
CID 103019811
[3-[4-(methylamino)piperidin-1-yl]-1H-1,2,4-triazol-5-yl]methanol
CID 102800344
N-methyl-1-[1-[5-(2-methylbutan-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]methanamine
CID 102800149
1-[5-(3-bicyclo[3.1.0]hexanyl)-1H-1,2,4-triazol-3-yl]-N-methylpiperidin-4-amine
CID 102800438
N-methyl-1-(5-pentan-2-yl-1H-1,2,4-triazol-3-yl)piperidin-4-amine
CID 102800420
N-methyl-1-[5-(1-methylsulfanylpropan-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-4-amine
CID 114221763
2-[3-(4-aminopiperidin-1-yl)-1H-1,2,4-triazol-5-yl]-2-methylpropan-1-ol
CID 102793826
1-[5-(2-ethylphenyl)-1H-1,2,4-triazol-3-yl]-N-methylpiperidin-4-amine
CID 102800340
1-[5-(5-iodothiophen-3-yl)-1H-1,2,4-triazol-3-yl]-N-methylpiperidin-4-amine
CID 102800470
1-[5-[(2-chlorophenyl)methyl]-1H-1,2,4-triazol-3-yl]-N-methylpiperidin-4-amine
CID 102800246
1-[5-(4-bromo-2-methylphenyl)-1H-1,2,4-triazol-3-yl]-N-methylpiperidin-4-amine
CID 102800385
1-[5-(3-chloro-4-methylthiophen-2-yl)-1H-1,2,4-triazol-3-yl]-N-methylpiperidin-4-amine
CID 103400516

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-methoxypropan-2-yl)-1H-1,2,4-triazol-3-yl]-N-methylpiperidin-4-amine?
The IUPAC name of 1-[5-(2-methoxypropan-2-yl)-1H-1,2,4-triazol-3-yl]-N-methylpiperidin-4-amine (CID 103019797) is 1-[5-(2-methoxypropan-2-yl)-1H-1,2,4-triazol-3-yl]-N-methylpiperidin-4-amine.
What is the SMILES notation for 1-[5-(2-methoxypropan-2-yl)-1H-1,2,4-triazol-3-yl]-N-methylpiperidin-4-amine?
The canonical SMILES for 1-[5-(2-methoxypropan-2-yl)-1H-1,2,4-triazol-3-yl]-N-methylpiperidin-4-amine is CNC1CCN(c2n[nH]c(C(C)(C)OC)n2)CC1.
What is the InChIKey of 1-[5-(2-methoxypropan-2-yl)-1H-1,2,4-triazol-3-yl]-N-methylpiperidin-4-amine?
The InChIKey is OLKVPNNCADOHSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5O/c1-12(2,18-4)10-14-11(16-15-10)17-7-5-9(13-3)6-8-17/h9,13H,5-8H2,1-4H3,(H,14,15,16).
What are the key properties of 1-[5-(2-methoxypropan-2-yl)-1H-1,2,4-triazol-3-yl]-N-methylpiperidin-4-amine?
1-[5-(2-methoxypropan-2-yl)-1H-1,2,4-triazol-3-yl]-N-methylpiperidin-4-amine has a molecular weight of 253.35 g/mol, XLogP of 0.87, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-methoxypropan-2-yl)-1H-1,2,4-triazol-3-yl]-N-methylpiperidin-4-amine is sourced from PubChem (CID 103019797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).