[3-(4-methoxyoxan-4-yl)-1H-1,2,4-triazol-5-yl]methanol

C9H15N3O3 — CID 116782471

IUPAC[3-(4-methoxyoxan-4-yl)-1H-1,2,4-triazol-5-yl]methanol
SMILESCOC1(c2n[nH]c(CO)n2)CCOCC1
InChIInChI=1S/C9H15N3O3/c1-14-9(2-4-15-5-3-9)8-10-7(6-13)11-12-8/h13H,2-6H2,1H3,(H,10,11,12)
InChIKeyIHMKHHLZJRHYRO-UHFFFAOYSA-N
MW213.24 g/mol
LogP-0.05
Rot. Bonds3

About [3-(4-methoxyoxan-4-yl)-1H-1,2,4-triazol-5-yl]methanol

[3-(4-methoxyoxan-4-yl)-1H-1,2,4-triazol-5-yl]methanol (PubChem CID 116782471) has the molecular formula C9H15N3O3 and a molecular weight of 213.24 g/mol. Its IUPAC name is [3-(4-methoxyoxan-4-yl)-1H-1,2,4-triazol-5-yl]methanol.

Molecular Properties

Compound Name[3-(4-methoxyoxan-4-yl)-1H-1,2,4-triazol-5-yl]methanol
PubChem CID116782471
Molecular FormulaC9H15N3O3
Molecular Weight213.24 g/mol
Exact Mass213.11
IUPAC Name[3-(4-methoxyoxan-4-yl)-1H-1,2,4-triazol-5-yl]methanol
SMILESCOC1(c2n[nH]c(CO)n2)CCOCC1
InChIInChI=1S/C9H15N3O3/c1-14-9(2-4-15-5-3-9)8-10-7(6-13)11-12-8/h13H,2-6H2,1H3,(H,10,11,12)
InChIKeyIHMKHHLZJRHYRO-UHFFFAOYSA-N
XLogP-0.05
TPSA80.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4,6-dichloro-2-(4-methoxyoxan-4-yl)-5-methylpyrimidine
CID 116745967
4-[5-(aminomethyl)-1H-1,2,4-triazol-3-yl]oxan-4-ol
CID 139026545
3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-amine
CID 116742083
1,1-difluoro-3-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]propan-2-ol
CID 116780737
3-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 106743686
1-[[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutan-1-amine
CID 116742003
4-chloro-6-(methoxymethyl)-2-(4-methoxyoxan-4-yl)pyrimidine
CID 116745866
2-[3-(1-ethoxycyclohexyl)-1H-1,2,4-triazol-5-yl]acetonitrile
CID 116782128
(1R)-1-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 104915552
4-ethyl-2-(4-methoxyoxan-4-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 114742417
5-(1-chloroethyl)-3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazole
CID 116740050
5-(chloromethyl)-3-(1-ethoxycycloheptyl)-1H-1,2,4-triazole
CID 116782491

Frequently Asked Questions

What is the IUPAC name of [3-(4-methoxyoxan-4-yl)-1H-1,2,4-triazol-5-yl]methanol?
The IUPAC name of [3-(4-methoxyoxan-4-yl)-1H-1,2,4-triazol-5-yl]methanol (CID 116782471) is [3-(4-methoxyoxan-4-yl)-1H-1,2,4-triazol-5-yl]methanol.
What is the SMILES notation for [3-(4-methoxyoxan-4-yl)-1H-1,2,4-triazol-5-yl]methanol?
The canonical SMILES for [3-(4-methoxyoxan-4-yl)-1H-1,2,4-triazol-5-yl]methanol is COC1(c2n[nH]c(CO)n2)CCOCC1.
What is the InChIKey of [3-(4-methoxyoxan-4-yl)-1H-1,2,4-triazol-5-yl]methanol?
The InChIKey is IHMKHHLZJRHYRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O3/c1-14-9(2-4-15-5-3-9)8-10-7(6-13)11-12-8/h13H,2-6H2,1H3,(H,10,11,12).
What are the key properties of [3-(4-methoxyoxan-4-yl)-1H-1,2,4-triazol-5-yl]methanol?
[3-(4-methoxyoxan-4-yl)-1H-1,2,4-triazol-5-yl]methanol has a molecular weight of 213.24 g/mol, XLogP of -0.05, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-methoxyoxan-4-yl)-1H-1,2,4-triazol-5-yl]methanol is sourced from PubChem (CID 116782471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).