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

C8H15N3O2 — CID 115396085

IUPAC[5-(methoxymethyl)-4-propan-2-yl-1,2,4-triazol-3-yl]methanol
SMILESCOCc1nnc(CO)n1C(C)C
InChIInChI=1S/C8H15N3O2/c1-6(2)11-7(4-12)9-10-8(11)5-13-3/h6,12H,4-5H2,1-3H3
InChIKeyNXNMEXSJUJMUOK-UHFFFAOYSA-N
MW185.23 g/mol
LogP0.50
Rot. Bonds4

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

[5-(methoxymethyl)-4-propan-2-yl-1,2,4-triazol-3-yl]methanol (PubChem CID 115396085) has the molecular formula C8H15N3O2 and a molecular weight of 185.23 g/mol. Its IUPAC name is [5-(methoxymethyl)-4-propan-2-yl-1,2,4-triazol-3-yl]methanol.

Molecular Properties

Compound Name[5-(methoxymethyl)-4-propan-2-yl-1,2,4-triazol-3-yl]methanol
PubChem CID115396085
Molecular FormulaC8H15N3O2
Molecular Weight185.23 g/mol
Exact Mass185.12
IUPAC Name[5-(methoxymethyl)-4-propan-2-yl-1,2,4-triazol-3-yl]methanol
SMILESCOCc1nnc(CO)n1C(C)C
InChIInChI=1S/C8H15N3O2/c1-6(2)11-7(4-12)9-10-8(11)5-13-3/h6,12H,4-5H2,1-3H3
InChIKeyNXNMEXSJUJMUOK-UHFFFAOYSA-N
XLogP0.50
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(5-methoxy-4-propan-2-yl-1,2,4-triazol-3-yl)methanol
CID 115396143
3-tert-butyl-5-(methoxymethyl)-4-propan-2-yl-1,2,4-triazole
CID 59485444
[5-(cyclopropylmethyl)-4-propan-2-yl-1,2,4-triazol-3-yl]methanol
CID 115396195
[5-(methylsulfonylmethyl)-4-propan-2-yl-1,2,4-triazol-3-yl]methanol
CID 115396078
[4-propan-2-yl-5-(1,1,2,2-tetrafluoroethyl)-1,2,4-triazol-3-yl]methanol
CID 115396232
3-(methoxymethyl)-4-propan-2-yl-1H-1,2,4-triazole-5-thione
CID 115390083
[5-(2,3,4,5,6-pentafluorophenyl)-4-propan-2-yl-1,2,4-triazol-3-yl]methanol
CID 115396152
[4-ethyl-5-(propan-2-yloxymethyl)-1,2,4-triazol-3-yl]methanol
CID 112605942
[5-[(3,4-difluorophenyl)methyl]-4-propan-2-yl-1,2,4-triazol-3-yl]methanol
CID 115396125
[5-(4-ethylphenyl)-4-propan-2-yl-1,2,4-triazol-3-yl]methanol
CID 115396079
[5-(propan-2-yloxymethyl)-4-propyl-1,2,4-triazol-3-yl]methanol
CID 112605944
[5-(2,4-dimethylpentan-3-yl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methanol
CID 114282373

Frequently Asked Questions

What is the IUPAC name of [5-(methoxymethyl)-4-propan-2-yl-1,2,4-triazol-3-yl]methanol?
The IUPAC name of [5-(methoxymethyl)-4-propan-2-yl-1,2,4-triazol-3-yl]methanol (CID 115396085) is [5-(methoxymethyl)-4-propan-2-yl-1,2,4-triazol-3-yl]methanol.
What is the SMILES notation for [5-(methoxymethyl)-4-propan-2-yl-1,2,4-triazol-3-yl]methanol?
The canonical SMILES for [5-(methoxymethyl)-4-propan-2-yl-1,2,4-triazol-3-yl]methanol is COCc1nnc(CO)n1C(C)C.
What is the InChIKey of [5-(methoxymethyl)-4-propan-2-yl-1,2,4-triazol-3-yl]methanol?
The InChIKey is NXNMEXSJUJMUOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O2/c1-6(2)11-7(4-12)9-10-8(11)5-13-3/h6,12H,4-5H2,1-3H3.
What are the key properties of [5-(methoxymethyl)-4-propan-2-yl-1,2,4-triazol-3-yl]methanol?
[5-(methoxymethyl)-4-propan-2-yl-1,2,4-triazol-3-yl]methanol has a molecular weight of 185.23 g/mol, XLogP of 0.50, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(methoxymethyl)-4-propan-2-yl-1,2,4-triazol-3-yl]methanol is sourced from PubChem (CID 115396085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).