(2,4-dibromophenyl)-(3-propyltriazol-4-yl)methanol

C12H13Br2N3O — CID 114019485

IUPAC(2,4-dibromophenyl)-(3-propyltriazol-4-yl)methanol
SMILESCCCn1nncc1C(O)c1ccc(Br)cc1Br
InChIInChI=1S/C12H13Br2N3O/c1-2-5-17-11(7-15-16-17)12(18)9-4-3-8(13)6-10(9)14/h3-4,6-7,12,18H,2,5H2,1H3
InChIKeyBWEFPOUARDIICX-UHFFFAOYSA-N
MW375.06 g/mol
LogP3.29
Rot. Bonds4

About (2,4-dibromophenyl)-(3-propyltriazol-4-yl)methanol

(2,4-dibromophenyl)-(3-propyltriazol-4-yl)methanol (PubChem CID 114019485) has the molecular formula C12H13Br2N3O and a molecular weight of 375.06 g/mol. Its IUPAC name is (2,4-dibromophenyl)-(3-propyltriazol-4-yl)methanol.

Molecular Properties

Compound Name(2,4-dibromophenyl)-(3-propyltriazol-4-yl)methanol
PubChem CID114019485
Molecular FormulaC12H13Br2N3O
Molecular Weight375.06 g/mol
Exact Mass372.94
IUPAC Name(2,4-dibromophenyl)-(3-propyltriazol-4-yl)methanol
SMILESCCCn1nncc1C(O)c1ccc(Br)cc1Br
InChIInChI=1S/C12H13Br2N3O/c1-2-5-17-11(7-15-16-17)12(18)9-4-3-8(13)6-10(9)14/h3-4,6-7,12,18H,2,5H2,1H3
InChIKeyBWEFPOUARDIICX-UHFFFAOYSA-N
XLogP3.29
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.06
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-bromo-3-methylphenyl)-(3-propyltriazol-4-yl)methanol
CID 114685279
(2-bromo-3-fluorophenyl)-(3-propyltriazol-4-yl)methanol
CID 115834049
2-(3-bromophenyl)-1-(3-propyltriazol-4-yl)ethanol
CID 114686324
1-(2,5-dibromophenyl)-N-methyl-1-(3-propyltriazol-4-yl)methanamine
CID 105038962
(5-bromo-2-fluorophenyl)-(3-ethyltriazol-4-yl)methanol
CID 114212999
(4-chloro-2-methoxyphenyl)-(3-propyltriazol-4-yl)methanol
CID 115834072
(3,5-dimethylphenyl)-(3-propyltriazol-4-yl)methanol
CID 114684920
(4-methylphenyl)-(3-propyltriazol-4-yl)methanol
CID 114684818
(2-amino-5-fluorophenyl)-(3-propyltriazol-4-yl)methanol
CID 114686729
(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-(3-propyltriazol-4-yl)methanol
CID 114684943
(3-propyltriazol-4-yl)-pyridazin-4-ylmethanol
CID 105126997
1-(5-bromo-2-chlorophenyl)-N-methyl-1-(3-propyltriazol-4-yl)methanamine
CID 105038917

Frequently Asked Questions

What is the IUPAC name of (2,4-dibromophenyl)-(3-propyltriazol-4-yl)methanol?
The IUPAC name of (2,4-dibromophenyl)-(3-propyltriazol-4-yl)methanol (CID 114019485) is (2,4-dibromophenyl)-(3-propyltriazol-4-yl)methanol.
What is the SMILES notation for (2,4-dibromophenyl)-(3-propyltriazol-4-yl)methanol?
The canonical SMILES for (2,4-dibromophenyl)-(3-propyltriazol-4-yl)methanol is CCCn1nncc1C(O)c1ccc(Br)cc1Br.
What is the InChIKey of (2,4-dibromophenyl)-(3-propyltriazol-4-yl)methanol?
The InChIKey is BWEFPOUARDIICX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Br2N3O/c1-2-5-17-11(7-15-16-17)12(18)9-4-3-8(13)6-10(9)14/h3-4,6-7,12,18H,2,5H2,1H3.
What are the key properties of (2,4-dibromophenyl)-(3-propyltriazol-4-yl)methanol?
(2,4-dibromophenyl)-(3-propyltriazol-4-yl)methanol has a molecular weight of 375.06 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dibromophenyl)-(3-propyltriazol-4-yl)methanol is sourced from PubChem (CID 114019485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).