3-(5-bromo-3-methyltriazol-4-yl)cyclohept-2-en-1-ol

C10H14BrN3O — CID 107383409

IUPAC3-(5-bromo-3-methyltriazol-4-yl)cyclohept-2-en-1-ol
SMILESCn1nnc(Br)c1C1=CC(O)CCCC1
InChIInChI=1S/C10H14BrN3O/c1-14-9(10(11)12-13-14)7-4-2-3-5-8(15)6-7/h6,8,15H,2-5H2,1H3
InChIKeyZCKOSYUMOMQDKF-UHFFFAOYSA-N
MW272.15 g/mol
LogP1.90
Rot. Bonds1

About 3-(5-bromo-3-methyltriazol-4-yl)cyclohept-2-en-1-ol

3-(5-bromo-3-methyltriazol-4-yl)cyclohept-2-en-1-ol (PubChem CID 107383409) has the molecular formula C10H14BrN3O and a molecular weight of 272.15 g/mol. Its IUPAC name is 3-(5-bromo-3-methyltriazol-4-yl)cyclohept-2-en-1-ol.

Molecular Properties

Compound Name3-(5-bromo-3-methyltriazol-4-yl)cyclohept-2-en-1-ol
PubChem CID107383409
Molecular FormulaC10H14BrN3O
Molecular Weight272.15 g/mol
Exact Mass271.03
IUPAC Name3-(5-bromo-3-methyltriazol-4-yl)cyclohept-2-en-1-ol
SMILESCn1nnc(Br)c1C1=CC(O)CCCC1
InChIInChI=1S/C10H14BrN3O/c1-14-9(10(11)12-13-14)7-4-2-3-5-8(15)6-7/h6,8,15H,2-5H2,1H3
InChIKeyZCKOSYUMOMQDKF-UHFFFAOYSA-N
XLogP1.90
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.15
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-3-methyltriazol-4-yl)cyclohept-2-en-1-ol?
The IUPAC name of 3-(5-bromo-3-methyltriazol-4-yl)cyclohept-2-en-1-ol (CID 107383409) is 3-(5-bromo-3-methyltriazol-4-yl)cyclohept-2-en-1-ol.
What is the SMILES notation for 3-(5-bromo-3-methyltriazol-4-yl)cyclohept-2-en-1-ol?
The canonical SMILES for 3-(5-bromo-3-methyltriazol-4-yl)cyclohept-2-en-1-ol is Cn1nnc(Br)c1C1=CC(O)CCCC1.
What is the InChIKey of 3-(5-bromo-3-methyltriazol-4-yl)cyclohept-2-en-1-ol?
The InChIKey is ZCKOSYUMOMQDKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrN3O/c1-14-9(10(11)12-13-14)7-4-2-3-5-8(15)6-7/h6,8,15H,2-5H2,1H3.
What are the key properties of 3-(5-bromo-3-methyltriazol-4-yl)cyclohept-2-en-1-ol?
3-(5-bromo-3-methyltriazol-4-yl)cyclohept-2-en-1-ol has a molecular weight of 272.15 g/mol, XLogP of 1.90, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-3-methyltriazol-4-yl)cyclohept-2-en-1-ol is sourced from PubChem (CID 107383409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).