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

C10H17N3O2 — CID 103558665

IUPAC[5-[(1-methoxycyclobutyl)methyl]-4-methyl-1,2,4-triazol-3-yl]methanol
SMILESCOC1(Cc2nnc(CO)n2C)CCC1
InChIInChI=1S/C10H17N3O2/c1-13-8(11-12-9(13)7-14)6-10(15-2)4-3-5-10/h14H,3-7H2,1-2H3
InChIKeyBDXGTTPWUTWOMB-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.42
Rot. Bonds4

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

[5-[(1-methoxycyclobutyl)methyl]-4-methyl-1,2,4-triazol-3-yl]methanol (PubChem CID 103558665) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is [5-[(1-methoxycyclobutyl)methyl]-4-methyl-1,2,4-triazol-3-yl]methanol.

Molecular Properties

Compound Name[5-[(1-methoxycyclobutyl)methyl]-4-methyl-1,2,4-triazol-3-yl]methanol
PubChem CID103558665
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name[5-[(1-methoxycyclobutyl)methyl]-4-methyl-1,2,4-triazol-3-yl]methanol
SMILESCOC1(Cc2nnc(CO)n2C)CCC1
InChIInChI=1S/C10H17N3O2/c1-13-8(11-12-9(13)7-14)6-10(15-2)4-3-5-10/h14H,3-7H2,1-2H3
InChIKeyBDXGTTPWUTWOMB-UHFFFAOYSA-N
XLogP0.42
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-[(1-methoxycyclobutyl)methyl]-4-methyl-1,2,4-triazol-3-yl]methanol?
The IUPAC name of [5-[(1-methoxycyclobutyl)methyl]-4-methyl-1,2,4-triazol-3-yl]methanol (CID 103558665) is [5-[(1-methoxycyclobutyl)methyl]-4-methyl-1,2,4-triazol-3-yl]methanol.
What is the SMILES notation for [5-[(1-methoxycyclobutyl)methyl]-4-methyl-1,2,4-triazol-3-yl]methanol?
The canonical SMILES for [5-[(1-methoxycyclobutyl)methyl]-4-methyl-1,2,4-triazol-3-yl]methanol is COC1(Cc2nnc(CO)n2C)CCC1.
What is the InChIKey of [5-[(1-methoxycyclobutyl)methyl]-4-methyl-1,2,4-triazol-3-yl]methanol?
The InChIKey is BDXGTTPWUTWOMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-13-8(11-12-9(13)7-14)6-10(15-2)4-3-5-10/h14H,3-7H2,1-2H3.
What are the key properties of [5-[(1-methoxycyclobutyl)methyl]-4-methyl-1,2,4-triazol-3-yl]methanol?
[5-[(1-methoxycyclobutyl)methyl]-4-methyl-1,2,4-triazol-3-yl]methanol has a molecular weight of 211.26 g/mol, XLogP of 0.42, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(1-methoxycyclobutyl)methyl]-4-methyl-1,2,4-triazol-3-yl]methanol is sourced from PubChem (CID 103558665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).