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

C12H24N4O — CID 112606036

IUPAC[5-[(2-methylpropan-2-yl)oxymethyl]-4-(2-methylpropyl)-1,2,4-triazol-3-yl]methanamine
SMILESCC(C)Cn1c(CN)nnc1COC(C)(C)C
InChIInChI=1S/C12H24N4O/c1-9(2)7-16-10(6-13)14-15-11(16)8-17-12(3,4)5/h9H,6-8,13H2,1-5H3
InChIKeyJMFBLVMMWQJXHE-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.71
Rot. Bonds5

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

[5-[(2-methylpropan-2-yl)oxymethyl]-4-(2-methylpropyl)-1,2,4-triazol-3-yl]methanamine (PubChem CID 112606036) has the molecular formula C12H24N4O and a molecular weight of 240.35 g/mol. Its IUPAC name is [5-[(2-methylpropan-2-yl)oxymethyl]-4-(2-methylpropyl)-1,2,4-triazol-3-yl]methanamine.

Molecular Properties

Compound Name[5-[(2-methylpropan-2-yl)oxymethyl]-4-(2-methylpropyl)-1,2,4-triazol-3-yl]methanamine
PubChem CID112606036
Molecular FormulaC12H24N4O
Molecular Weight240.35 g/mol
Exact Mass240.20
IUPAC Name[5-[(2-methylpropan-2-yl)oxymethyl]-4-(2-methylpropyl)-1,2,4-triazol-3-yl]methanamine
SMILESCC(C)Cn1c(CN)nnc1COC(C)(C)C
InChIInChI=1S/C12H24N4O/c1-9(2)7-16-10(6-13)14-15-11(16)8-17-12(3,4)5/h9H,6-8,13H2,1-5H3
InChIKeyJMFBLVMMWQJXHE-UHFFFAOYSA-N
XLogP1.71
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-[(2-methylpropan-2-yl)oxymethyl]-4-(2-methylpropyl)-1,2,4-triazol-3-yl]methanamine?
The IUPAC name of [5-[(2-methylpropan-2-yl)oxymethyl]-4-(2-methylpropyl)-1,2,4-triazol-3-yl]methanamine (CID 112606036) is [5-[(2-methylpropan-2-yl)oxymethyl]-4-(2-methylpropyl)-1,2,4-triazol-3-yl]methanamine.
What is the SMILES notation for [5-[(2-methylpropan-2-yl)oxymethyl]-4-(2-methylpropyl)-1,2,4-triazol-3-yl]methanamine?
The canonical SMILES for [5-[(2-methylpropan-2-yl)oxymethyl]-4-(2-methylpropyl)-1,2,4-triazol-3-yl]methanamine is CC(C)Cn1c(CN)nnc1COC(C)(C)C.
What is the InChIKey of [5-[(2-methylpropan-2-yl)oxymethyl]-4-(2-methylpropyl)-1,2,4-triazol-3-yl]methanamine?
The InChIKey is JMFBLVMMWQJXHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O/c1-9(2)7-16-10(6-13)14-15-11(16)8-17-12(3,4)5/h9H,6-8,13H2,1-5H3.
What are the key properties of [5-[(2-methylpropan-2-yl)oxymethyl]-4-(2-methylpropyl)-1,2,4-triazol-3-yl]methanamine?
[5-[(2-methylpropan-2-yl)oxymethyl]-4-(2-methylpropyl)-1,2,4-triazol-3-yl]methanamine has a molecular weight of 240.35 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(2-methylpropan-2-yl)oxymethyl]-4-(2-methylpropyl)-1,2,4-triazol-3-yl]methanamine is sourced from PubChem (CID 112606036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).