[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-yl]methanol

C7H9N5O2 — CID 62402205

IUPAC[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-yl]methanol
SMILESCc1nc(Cn2cc(CO)nn2)no1
InChIInChI=1S/C7H9N5O2/c1-5-8-7(10-14-5)3-12-2-6(4-13)9-11-12/h2,13H,3-4H2,1H3
InChIKeyMQWRYTNMKYUVCO-UHFFFAOYSA-N
MW195.18 g/mol
LogP-0.49
Rot. Bonds3

About [1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-yl]methanol

[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-yl]methanol (PubChem CID 62402205) has the molecular formula C7H9N5O2 and a molecular weight of 195.18 g/mol. Its IUPAC name is [1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-yl]methanol.

Molecular Properties

Compound Name[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-yl]methanol
PubChem CID62402205
Molecular FormulaC7H9N5O2
Molecular Weight195.18 g/mol
Exact Mass195.08
IUPAC Name[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-yl]methanol
SMILESCc1nc(Cn2cc(CO)nn2)no1
InChIInChI=1S/C7H9N5O2/c1-5-8-7(10-14-5)3-12-2-6(4-13)9-11-12/h2,13H,3-4H2,1H3
InChIKeyMQWRYTNMKYUVCO-UHFFFAOYSA-N
XLogP-0.49
TPSA89.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.18
LogP ≤ 5-0.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-yl]methyl]cyclopropanamine
CID 66194576
[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]triazol-4-yl]methanol
CID 62399582
1-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-yl]ethanamine
CID 114419523
2-[1-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]triazol-4-yl]ethanol
CID 62401525
[1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]triazol-4-yl]methanol
CID 62401112
[1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]triazol-4-yl]methanol
CID 62399781
N-[[1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-yl]methyl]ethanamine
CID 66194073
[1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]triazol-4-yl]methanol
CID 62399980
N-ethyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-(4-methylphthalazin-1-yl)triazole-4-carboxamide
CID 167967323
[1-[2-(dimethylamino)ethyl]triazol-4-yl]methanol
CID 62399765
[1-[(3-methylphenyl)methyl]triazol-4-yl]methanol
CID 24786458
2-[1-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-yl]ethanol
CID 55067381

Frequently Asked Questions

What is the IUPAC name of [1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-yl]methanol?
The IUPAC name of [1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-yl]methanol (CID 62402205) is [1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-yl]methanol.
What is the SMILES notation for [1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-yl]methanol?
The canonical SMILES for [1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-yl]methanol is Cc1nc(Cn2cc(CO)nn2)no1.
What is the InChIKey of [1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-yl]methanol?
The InChIKey is MQWRYTNMKYUVCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N5O2/c1-5-8-7(10-14-5)3-12-2-6(4-13)9-11-12/h2,13H,3-4H2,1H3.
What are the key properties of [1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-yl]methanol?
[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-yl]methanol has a molecular weight of 195.18 g/mol, XLogP of -0.49, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-yl]methanol is sourced from PubChem (CID 62402205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).