[5-(2-methoxypropan-2-yl)-4-propan-2-yl-1,2,4-triazol-3-yl]methanol

C10H19N3O2 — CID 103022866

IUPAC[5-(2-methoxypropan-2-yl)-4-propan-2-yl-1,2,4-triazol-3-yl]methanol
SMILESCOC(C)(C)c1nnc(CO)n1C(C)C
InChIInChI=1S/C10H19N3O2/c1-7(2)13-8(6-14)11-12-9(13)10(3,4)15-5/h7,14H,6H2,1-5H3
InChIKeyTUMBEVWJZXOVJL-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.23
Rot. Bonds4

About [5-(2-methoxypropan-2-yl)-4-propan-2-yl-1,2,4-triazol-3-yl]methanol

[5-(2-methoxypropan-2-yl)-4-propan-2-yl-1,2,4-triazol-3-yl]methanol (PubChem CID 103022866) has the molecular formula C10H19N3O2 and a molecular weight of 213.28 g/mol. Its IUPAC name is [5-(2-methoxypropan-2-yl)-4-propan-2-yl-1,2,4-triazol-3-yl]methanol.

Molecular Properties

Compound Name[5-(2-methoxypropan-2-yl)-4-propan-2-yl-1,2,4-triazol-3-yl]methanol
PubChem CID103022866
Molecular FormulaC10H19N3O2
Molecular Weight213.28 g/mol
Exact Mass213.15
IUPAC Name[5-(2-methoxypropan-2-yl)-4-propan-2-yl-1,2,4-triazol-3-yl]methanol
SMILESCOC(C)(C)c1nnc(CO)n1C(C)C
InChIInChI=1S/C10H19N3O2/c1-7(2)13-8(6-14)11-12-9(13)10(3,4)15-5/h7,14H,6H2,1-5H3
InChIKeyTUMBEVWJZXOVJL-UHFFFAOYSA-N
XLogP1.23
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-(2-methoxypropan-2-yl)-4-propan-2-yl-1,2,4-triazol-3-yl]methanol?
The IUPAC name of [5-(2-methoxypropan-2-yl)-4-propan-2-yl-1,2,4-triazol-3-yl]methanol (CID 103022866) is [5-(2-methoxypropan-2-yl)-4-propan-2-yl-1,2,4-triazol-3-yl]methanol.
What is the SMILES notation for [5-(2-methoxypropan-2-yl)-4-propan-2-yl-1,2,4-triazol-3-yl]methanol?
The canonical SMILES for [5-(2-methoxypropan-2-yl)-4-propan-2-yl-1,2,4-triazol-3-yl]methanol is COC(C)(C)c1nnc(CO)n1C(C)C.
What is the InChIKey of [5-(2-methoxypropan-2-yl)-4-propan-2-yl-1,2,4-triazol-3-yl]methanol?
The InChIKey is TUMBEVWJZXOVJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2/c1-7(2)13-8(6-14)11-12-9(13)10(3,4)15-5/h7,14H,6H2,1-5H3.
What are the key properties of [5-(2-methoxypropan-2-yl)-4-propan-2-yl-1,2,4-triazol-3-yl]methanol?
[5-(2-methoxypropan-2-yl)-4-propan-2-yl-1,2,4-triazol-3-yl]methanol has a molecular weight of 213.28 g/mol, XLogP of 1.23, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-methoxypropan-2-yl)-4-propan-2-yl-1,2,4-triazol-3-yl]methanol is sourced from PubChem (CID 103022866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).