[1-[5-[(2-methylpropan-2-yl)oxymethyl]-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine

C13H25N5O — CID 102799830

IUPAC[1-[5-[(2-methylpropan-2-yl)oxymethyl]-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine
SMILESCC(C)(C)OCc1nc(N2CCCC(CN)C2)n[nH]1
InChIInChI=1S/C13H25N5O/c1-13(2,3)19-9-11-15-12(17-16-11)18-6-4-5-10(7-14)8-18/h10H,4-9,14H2,1-3H3,(H,15,16,17)
InChIKeyZTESDEALKCDEAP-UHFFFAOYSA-N
MW267.38 g/mol
LogP1.29
Rot. Bonds4

About [1-[5-[(2-methylpropan-2-yl)oxymethyl]-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine

[1-[5-[(2-methylpropan-2-yl)oxymethyl]-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine (PubChem CID 102799830) has the molecular formula C13H25N5O and a molecular weight of 267.38 g/mol. Its IUPAC name is [1-[5-[(2-methylpropan-2-yl)oxymethyl]-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-[5-[(2-methylpropan-2-yl)oxymethyl]-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine
PubChem CID102799830
Molecular FormulaC13H25N5O
Molecular Weight267.38 g/mol
Exact Mass267.21
IUPAC Name[1-[5-[(2-methylpropan-2-yl)oxymethyl]-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine
SMILESCC(C)(C)OCc1nc(N2CCCC(CN)C2)n[nH]1
InChIInChI=1S/C13H25N5O/c1-13(2,3)19-9-11-15-12(17-16-11)18-6-4-5-10(7-14)8-18/h10H,4-9,14H2,1-3H3,(H,15,16,17)
InChIKeyZTESDEALKCDEAP-UHFFFAOYSA-N
XLogP1.29
TPSA80.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-[5-[(2-methylpropan-2-yl)oxymethyl]-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine?
The IUPAC name of [1-[5-[(2-methylpropan-2-yl)oxymethyl]-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine (CID 102799830) is [1-[5-[(2-methylpropan-2-yl)oxymethyl]-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine.
What is the SMILES notation for [1-[5-[(2-methylpropan-2-yl)oxymethyl]-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine?
The canonical SMILES for [1-[5-[(2-methylpropan-2-yl)oxymethyl]-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine is CC(C)(C)OCc1nc(N2CCCC(CN)C2)n[nH]1.
What is the InChIKey of [1-[5-[(2-methylpropan-2-yl)oxymethyl]-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine?
The InChIKey is ZTESDEALKCDEAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5O/c1-13(2,3)19-9-11-15-12(17-16-11)18-6-4-5-10(7-14)8-18/h10H,4-9,14H2,1-3H3,(H,15,16,17).
What are the key properties of [1-[5-[(2-methylpropan-2-yl)oxymethyl]-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine?
[1-[5-[(2-methylpropan-2-yl)oxymethyl]-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine has a molecular weight of 267.38 g/mol, XLogP of 1.29, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[5-[(2-methylpropan-2-yl)oxymethyl]-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine is sourced from PubChem (CID 102799830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).