1-(4-chloro-2-prop-1-enylphenyl)triazole

C11H10ClN3 — CID 77442565

IUPAC1-(4-chloro-2-prop-1-enylphenyl)triazole
SMILESCC=Cc1cc(Cl)ccc1-n1ccnn1
InChIInChI=1S/C11H10ClN3/c1-2-3-9-8-10(12)4-5-11(9)15-7-6-13-14-15/h2-8H,1H3
InChIKeyNRXVLVDJCWOMCT-UHFFFAOYSA-N
MW219.68 g/mol
LogP2.95
Rot. Bonds2

About 1-(4-chloro-2-prop-1-enylphenyl)triazole

1-(4-chloro-2-prop-1-enylphenyl)triazole (PubChem CID 77442565) has the molecular formula C11H10ClN3 and a molecular weight of 219.68 g/mol. Its IUPAC name is 1-(4-chloro-2-prop-1-enylphenyl)triazole.

Molecular Properties

Compound Name1-(4-chloro-2-prop-1-enylphenyl)triazole
PubChem CID77442565
Molecular FormulaC11H10ClN3
Molecular Weight219.68 g/mol
Exact Mass219.06
IUPAC Name1-(4-chloro-2-prop-1-enylphenyl)triazole
SMILESCC=Cc1cc(Cl)ccc1-n1ccnn1
InChIInChI=1S/C11H10ClN3/c1-2-3-9-8-10(12)4-5-11(9)15-7-6-13-14-15/h2-8H,1H3
InChIKeyNRXVLVDJCWOMCT-UHFFFAOYSA-N
XLogP2.95
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.68
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-prop-1-enylphenyl)triazole?
The IUPAC name of 1-(4-chloro-2-prop-1-enylphenyl)triazole (CID 77442565) is 1-(4-chloro-2-prop-1-enylphenyl)triazole.
What is the SMILES notation for 1-(4-chloro-2-prop-1-enylphenyl)triazole?
The canonical SMILES for 1-(4-chloro-2-prop-1-enylphenyl)triazole is CC=Cc1cc(Cl)ccc1-n1ccnn1.
What is the InChIKey of 1-(4-chloro-2-prop-1-enylphenyl)triazole?
The InChIKey is NRXVLVDJCWOMCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3/c1-2-3-9-8-10(12)4-5-11(9)15-7-6-13-14-15/h2-8H,1H3.
What are the key properties of 1-(4-chloro-2-prop-1-enylphenyl)triazole?
1-(4-chloro-2-prop-1-enylphenyl)triazole has a molecular weight of 219.68 g/mol, XLogP of 2.95, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-prop-1-enylphenyl)triazole is sourced from PubChem (CID 77442565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).