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

C12H21N3O2 — CID 103558662

IUPAC[5-[(1-methoxycyclobutyl)methyl]-4-propan-2-yl-1,2,4-triazol-3-yl]methanol
SMILESCOC1(Cc2nnc(CO)n2C(C)C)CCC1
InChIInChI=1S/C12H21N3O2/c1-9(2)15-10(13-14-11(15)8-16)7-12(17-3)5-4-6-12/h9,16H,4-8H2,1-3H3
InChIKeyMOUZTJQCKCGYJE-UHFFFAOYSA-N
MW239.32 g/mol
LogP1.46
Rot. Bonds5

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

[5-[(1-methoxycyclobutyl)methyl]-4-propan-2-yl-1,2,4-triazol-3-yl]methanol (PubChem CID 103558662) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is [5-[(1-methoxycyclobutyl)methyl]-4-propan-2-yl-1,2,4-triazol-3-yl]methanol.

Molecular Properties

Compound Name[5-[(1-methoxycyclobutyl)methyl]-4-propan-2-yl-1,2,4-triazol-3-yl]methanol
PubChem CID103558662
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name[5-[(1-methoxycyclobutyl)methyl]-4-propan-2-yl-1,2,4-triazol-3-yl]methanol
SMILESCOC1(Cc2nnc(CO)n2C(C)C)CCC1
InChIInChI=1S/C12H21N3O2/c1-9(2)15-10(13-14-11(15)8-16)7-12(17-3)5-4-6-12/h9,16H,4-8H2,1-3H3
InChIKeyMOUZTJQCKCGYJE-UHFFFAOYSA-N
XLogP1.46
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(5-cyclobutyl-4-methyl-4H-1,2,4-triazol-3-yl)methanol
CID 71758561
[5-(4-Methylcyclohexyl)-4-propan-2-yl-1,2,4-triazol-3-yl]methanol
CID 81879633
[5-Heptan-4-yl-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methanol
CID 82995518
(5-Heptan-4-yl-4-propan-2-yl-1,2,4-triazol-3-yl)methanol
CID 82995519
(4-Cyclopropyl-5-heptan-4-yl-1,2,4-triazol-3-yl)methanol
CID 82995597
(4-Ethyl-5-heptan-4-yl-1,2,4-triazol-3-yl)methanol
CID 82995674
(5-Heptan-4-yl-4-propyl-1,2,4-triazol-3-yl)methanol
CID 82995675
[5-Heptan-4-yl-4-(2-methylpropyl)-1,2,4-triazol-3-yl]methanol
CID 82995749
[4-(2-Methoxyethyl)-5-(2-methoxypropan-2-yl)-1,2,4-triazol-3-yl]methanol
CID 103022864
[5-(2-Methoxy-2-methylpropyl)-4-propan-2-yl-1,2,4-triazol-3-yl]methanol
CID 103022865
[5-(2-Methoxypropan-2-yl)-4-propan-2-yl-1,2,4-triazol-3-yl]methanol
CID 103022866
[4-Cyclopropyl-5-(2-methoxy-2-methylpropyl)-1,2,4-triazol-3-yl]methanol
CID 103022867

Frequently Asked Questions

What is the IUPAC name of [5-[(1-methoxycyclobutyl)methyl]-4-propan-2-yl-1,2,4-triazol-3-yl]methanol?
The IUPAC name of [5-[(1-methoxycyclobutyl)methyl]-4-propan-2-yl-1,2,4-triazol-3-yl]methanol (CID 103558662) is [5-[(1-methoxycyclobutyl)methyl]-4-propan-2-yl-1,2,4-triazol-3-yl]methanol.
What is the SMILES notation for [5-[(1-methoxycyclobutyl)methyl]-4-propan-2-yl-1,2,4-triazol-3-yl]methanol?
The canonical SMILES for [5-[(1-methoxycyclobutyl)methyl]-4-propan-2-yl-1,2,4-triazol-3-yl]methanol is COC1(Cc2nnc(CO)n2C(C)C)CCC1.
What is the InChIKey of [5-[(1-methoxycyclobutyl)methyl]-4-propan-2-yl-1,2,4-triazol-3-yl]methanol?
The InChIKey is MOUZTJQCKCGYJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-9(2)15-10(13-14-11(15)8-16)7-12(17-3)5-4-6-12/h9,16H,4-8H2,1-3H3.
What are the key properties of [5-[(1-methoxycyclobutyl)methyl]-4-propan-2-yl-1,2,4-triazol-3-yl]methanol?
[5-[(1-methoxycyclobutyl)methyl]-4-propan-2-yl-1,2,4-triazol-3-yl]methanol has a molecular weight of 239.32 g/mol, XLogP of 1.46, 5 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-propan-2-yl-1,2,4-triazol-3-yl]methanol is sourced from PubChem (CID 103558662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).