(5-bromo-3-methyltriazol-4-yl)-(2-methyloxolan-2-yl)methanol

C9H14BrN3O2 — CID 106461915

IUPAC(5-bromo-3-methyltriazol-4-yl)-(2-methyloxolan-2-yl)methanol
SMILESCn1nnc(Br)c1C(O)C1(C)CCCO1
InChIInChI=1S/C9H14BrN3O2/c1-9(4-3-5-15-9)7(14)6-8(10)11-12-13(6)2/h7,14H,3-5H2,1-2H3
InChIKeyMFVNHYYTWXPTFY-UHFFFAOYSA-N
MW276.13 g/mol
LogP1.18
Rot. Bonds2

About (5-bromo-3-methyltriazol-4-yl)-(2-methyloxolan-2-yl)methanol

(5-bromo-3-methyltriazol-4-yl)-(2-methyloxolan-2-yl)methanol (PubChem CID 106461915) has the molecular formula C9H14BrN3O2 and a molecular weight of 276.13 g/mol. Its IUPAC name is (5-bromo-3-methyltriazol-4-yl)-(2-methyloxolan-2-yl)methanol.

Molecular Properties

Compound Name(5-bromo-3-methyltriazol-4-yl)-(2-methyloxolan-2-yl)methanol
PubChem CID106461915
Molecular FormulaC9H14BrN3O2
Molecular Weight276.13 g/mol
Exact Mass275.03
IUPAC Name(5-bromo-3-methyltriazol-4-yl)-(2-methyloxolan-2-yl)methanol
SMILESCn1nnc(Br)c1C(O)C1(C)CCCO1
InChIInChI=1S/C9H14BrN3O2/c1-9(4-3-5-15-9)7(14)6-8(10)11-12-13(6)2/h7,14H,3-5H2,1-2H3
InChIKeyMFVNHYYTWXPTFY-UHFFFAOYSA-N
XLogP1.18
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.13
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(5-bromo-3-methyltriazol-4-yl)-(1-phenylcyclopropyl)methanol
CID 106461825
(5-bromo-3-methyltriazol-4-yl)-(2-methylthiolan-2-yl)methanamine
CID 106465011
N-[(5-bromo-3-methyltriazol-4-yl)-(1-methylcyclohexyl)methyl]ethanamine
CID 106830779
(3S)-3-amino-3-(5-bromo-3-methyltriazol-4-yl)propanamide
CID 130586346
(5-bromo-3-methyltriazol-4-yl)-(1,4-dioxan-2-yl)methanol
CID 106465738
1-(5-bromo-3-methyltriazol-4-yl)-2-cycloheptylethanamine
CID 106464672
1-(5-bromo-3-methyltriazol-4-yl)-2-cyclohexylethanamine
CID 106464757
(5-bromo-3-methyltriazol-4-yl)-(2,2-dimethylcyclopropyl)methanamine
CID 107005213
1-(5-bromo-3-methyltriazol-4-yl)-2-methylsulfanylethanol
CID 106461816
(4-bromo-5-chlorothiophen-2-yl)-(2-methyloxolan-2-yl)methanol
CID 102835170
(5-bromo-3-methyltriazol-4-yl)-[(3S)-pyrrolidin-3-yl]methanol
CID 164654571
(2R)-2-methyl-2-propan-2-yloxolane
CID 59911363

Frequently Asked Questions

What is the IUPAC name of (5-bromo-3-methyltriazol-4-yl)-(2-methyloxolan-2-yl)methanol?
The IUPAC name of (5-bromo-3-methyltriazol-4-yl)-(2-methyloxolan-2-yl)methanol (CID 106461915) is (5-bromo-3-methyltriazol-4-yl)-(2-methyloxolan-2-yl)methanol.
What is the SMILES notation for (5-bromo-3-methyltriazol-4-yl)-(2-methyloxolan-2-yl)methanol?
The canonical SMILES for (5-bromo-3-methyltriazol-4-yl)-(2-methyloxolan-2-yl)methanol is Cn1nnc(Br)c1C(O)C1(C)CCCO1.
What is the InChIKey of (5-bromo-3-methyltriazol-4-yl)-(2-methyloxolan-2-yl)methanol?
The InChIKey is MFVNHYYTWXPTFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14BrN3O2/c1-9(4-3-5-15-9)7(14)6-8(10)11-12-13(6)2/h7,14H,3-5H2,1-2H3.
What are the key properties of (5-bromo-3-methyltriazol-4-yl)-(2-methyloxolan-2-yl)methanol?
(5-bromo-3-methyltriazol-4-yl)-(2-methyloxolan-2-yl)methanol has a molecular weight of 276.13 g/mol, XLogP of 1.18, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-3-methyltriazol-4-yl)-(2-methyloxolan-2-yl)methanol is sourced from PubChem (CID 106461915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).