[4-[methyl-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]amino]oxan-4-yl]methanol

C14H26N4O2 — CID 99832193

IUPAC[4-[methyl-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]amino]oxan-4-yl]methanol
SMILESCC(C)Cn1ncnc1CN(C)C1(CO)CCOCC1
InChIInChI=1S/C14H26N4O2/c1-12(2)8-18-13(15-11-16-18)9-17(3)14(10-19)4-6-20-7-5-14/h11-12,19H,4-10H2,1-3H3
InChIKeyBKCQEVQXNAVOGP-UHFFFAOYSA-N
MW282.39 g/mol
LogP0.91
Rot. Bonds6

About [4-[methyl-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]amino]oxan-4-yl]methanol

[4-[methyl-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]amino]oxan-4-yl]methanol (PubChem CID 99832193) has the molecular formula C14H26N4O2 and a molecular weight of 282.39 g/mol. Its IUPAC name is [4-[methyl-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]amino]oxan-4-yl]methanol.

Molecular Properties

Compound Name[4-[methyl-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]amino]oxan-4-yl]methanol
PubChem CID99832193
Molecular FormulaC14H26N4O2
Molecular Weight282.39 g/mol
Exact Mass282.21
IUPAC Name[4-[methyl-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]amino]oxan-4-yl]methanol
SMILESCC(C)Cn1ncnc1CN(C)C1(CO)CCOCC1
InChIInChI=1S/C14H26N4O2/c1-12(2)8-18-13(15-11-16-18)9-17(3)14(10-19)4-6-20-7-5-14/h11-12,19H,4-10H2,1-3H3
InChIKeyBKCQEVQXNAVOGP-UHFFFAOYSA-N
XLogP0.91
TPSA63.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-[methyl-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]amino]oxan-4-yl]methanol?
The IUPAC name of [4-[methyl-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]amino]oxan-4-yl]methanol (CID 99832193) is [4-[methyl-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]amino]oxan-4-yl]methanol.
What is the SMILES notation for [4-[methyl-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]amino]oxan-4-yl]methanol?
The canonical SMILES for [4-[methyl-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]amino]oxan-4-yl]methanol is CC(C)Cn1ncnc1CN(C)C1(CO)CCOCC1.
What is the InChIKey of [4-[methyl-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]amino]oxan-4-yl]methanol?
The InChIKey is BKCQEVQXNAVOGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O2/c1-12(2)8-18-13(15-11-16-18)9-17(3)14(10-19)4-6-20-7-5-14/h11-12,19H,4-10H2,1-3H3.
What are the key properties of [4-[methyl-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]amino]oxan-4-yl]methanol?
[4-[methyl-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]amino]oxan-4-yl]methanol has a molecular weight of 282.39 g/mol, XLogP of 0.91, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[methyl-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]amino]oxan-4-yl]methanol is sourced from PubChem (CID 99832193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).