2-[3-(3-aminopiperidin-1-yl)-1H-1,2,4-triazol-5-yl]-2-methylpropan-1-ol

C11H21N5O — CID 102794172

IUPAC2-[3-(3-aminopiperidin-1-yl)-1H-1,2,4-triazol-5-yl]-2-methylpropan-1-ol
SMILESCC(C)(CO)c1nc(N2CCCC(N)C2)n[nH]1
InChIInChI=1S/C11H21N5O/c1-11(2,7-17)9-13-10(15-14-9)16-5-3-4-8(12)6-16/h8,17H,3-7,12H2,1-2H3,(H,13,14,15)
InChIKeyLVNUUDUMSRNKKY-UHFFFAOYSA-N
MW239.32 g/mol
LogP0.00
Rot. Bonds3

About 2-[3-(3-aminopiperidin-1-yl)-1H-1,2,4-triazol-5-yl]-2-methylpropan-1-ol

2-[3-(3-aminopiperidin-1-yl)-1H-1,2,4-triazol-5-yl]-2-methylpropan-1-ol (PubChem CID 102794172) has the molecular formula C11H21N5O and a molecular weight of 239.32 g/mol. Its IUPAC name is 2-[3-(3-aminopiperidin-1-yl)-1H-1,2,4-triazol-5-yl]-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-[3-(3-aminopiperidin-1-yl)-1H-1,2,4-triazol-5-yl]-2-methylpropan-1-ol
PubChem CID102794172
Molecular FormulaC11H21N5O
Molecular Weight239.32 g/mol
Exact Mass239.17
IUPAC Name2-[3-(3-aminopiperidin-1-yl)-1H-1,2,4-triazol-5-yl]-2-methylpropan-1-ol
SMILESCC(C)(CO)c1nc(N2CCCC(N)C2)n[nH]1
InChIInChI=1S/C11H21N5O/c1-11(2,7-17)9-13-10(15-14-9)16-5-3-4-8(12)6-16/h8,17H,3-7,12H2,1-2H3,(H,13,14,15)
InChIKeyLVNUUDUMSRNKKY-UHFFFAOYSA-N
XLogP0.00
TPSA91.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 50.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[3-(3-aminopiperidin-1-yl)-1H-1,2,4-triazol-5-yl]-2-methylpropan-1-ol with MolForge

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Related Compounds

2-[3-(4-aminopiperidin-1-yl)-1H-1,2,4-triazol-5-yl]-2-methylpropan-1-ol
CID 102793826
1-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine
CID 102794324
2-methyl-2-[3-[(3R)-3-methylpiperazin-1-yl]-1H-1,2,4-triazol-5-yl]propan-1-ol
CID 102797520
1-(5-amino-1H-1,2,4-triazol-3-yl)piperidin-3-amine
CID 155290360
1-[3-(3-aminopiperidin-1-yl)-1H-1,2,4-triazol-5-yl]ethanol
CID 102794422
1-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)piperidin-3-amine
CID 102794256
[1-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine
CID 102799873
1-[5-(2-ethylphenyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine
CID 102794281
[3-[3-(aminomethyl)piperidin-1-yl]-1H-1,2,4-triazol-5-yl]methanol
CID 102799874
1-[5-(oxolan-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine
CID 102794159
1-[5-(5-ethylthiophen-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine
CID 102794421
1-[5-(4-bromophenyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine
CID 102794449

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-aminopiperidin-1-yl)-1H-1,2,4-triazol-5-yl]-2-methylpropan-1-ol?
The IUPAC name of 2-[3-(3-aminopiperidin-1-yl)-1H-1,2,4-triazol-5-yl]-2-methylpropan-1-ol (CID 102794172) is 2-[3-(3-aminopiperidin-1-yl)-1H-1,2,4-triazol-5-yl]-2-methylpropan-1-ol.
What is the SMILES notation for 2-[3-(3-aminopiperidin-1-yl)-1H-1,2,4-triazol-5-yl]-2-methylpropan-1-ol?
The canonical SMILES for 2-[3-(3-aminopiperidin-1-yl)-1H-1,2,4-triazol-5-yl]-2-methylpropan-1-ol is CC(C)(CO)c1nc(N2CCCC(N)C2)n[nH]1.
What is the InChIKey of 2-[3-(3-aminopiperidin-1-yl)-1H-1,2,4-triazol-5-yl]-2-methylpropan-1-ol?
The InChIKey is LVNUUDUMSRNKKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O/c1-11(2,7-17)9-13-10(15-14-9)16-5-3-4-8(12)6-16/h8,17H,3-7,12H2,1-2H3,(H,13,14,15).
What are the key properties of 2-[3-(3-aminopiperidin-1-yl)-1H-1,2,4-triazol-5-yl]-2-methylpropan-1-ol?
2-[3-(3-aminopiperidin-1-yl)-1H-1,2,4-triazol-5-yl]-2-methylpropan-1-ol has a molecular weight of 239.32 g/mol, XLogP of 0.00, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-aminopiperidin-1-yl)-1H-1,2,4-triazol-5-yl]-2-methylpropan-1-ol is sourced from PubChem (CID 102794172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).