(5-bromo-3-methyltriazol-4-yl)-(1-phenylcyclopentyl)methanone

C15H16BrN3O — CID 106461541

IUPAC(5-bromo-3-methyltriazol-4-yl)-(1-phenylcyclopentyl)methanone
SMILESCn1nnc(Br)c1C(=O)C1(c2ccccc2)CCCC1
InChIInChI=1S/C15H16BrN3O/c1-19-12(14(16)17-18-19)13(20)15(9-5-6-10-15)11-7-3-2-4-8-11/h2-4,7-8H,5-6,9-10H2,1H3
InChIKeyITPPOGFFFBCWSU-UHFFFAOYSA-N
MW334.22 g/mol
LogP3.27
Rot. Bonds3

About (5-bromo-3-methyltriazol-4-yl)-(1-phenylcyclopentyl)methanone

(5-bromo-3-methyltriazol-4-yl)-(1-phenylcyclopentyl)methanone (PubChem CID 106461541) has the molecular formula C15H16BrN3O and a molecular weight of 334.22 g/mol. Its IUPAC name is (5-bromo-3-methyltriazol-4-yl)-(1-phenylcyclopentyl)methanone.

Molecular Properties

Compound Name(5-bromo-3-methyltriazol-4-yl)-(1-phenylcyclopentyl)methanone
PubChem CID106461541
Molecular FormulaC15H16BrN3O
Molecular Weight334.22 g/mol
Exact Mass333.05
IUPAC Name(5-bromo-3-methyltriazol-4-yl)-(1-phenylcyclopentyl)methanone
SMILESCn1nnc(Br)c1C(=O)C1(c2ccccc2)CCCC1
InChIInChI=1S/C15H16BrN3O/c1-19-12(14(16)17-18-19)13(20)15(9-5-6-10-15)11-7-3-2-4-8-11/h2-4,7-8H,5-6,9-10H2,1H3
InChIKeyITPPOGFFFBCWSU-UHFFFAOYSA-N
XLogP3.27
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.22
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-chloro-1-methylpyrazol-5-yl)-(1-phenylcyclobutyl)methanone
CID 114640025
(5-bromo-3-methyltriazol-4-yl)-(1-ethoxycyclopentyl)methanone
CID 106461726
(5-bromo-3-methyltriazol-4-yl)-(1-ethoxycyclohexyl)methanone
CID 106461728
1-(5-bromo-3-methyltriazol-4-yl)-2-(1-methoxycyclobutyl)ethanone
CID 106464364
1-phenylcyclopentane-1-carboxamide;dihydrochloride
CID 142770378
2-anilino-1-(5-bromo-3-methyltriazol-4-yl)ethanone
CID 106464076
(5-bromo-3-methyltriazol-4-yl)-(1-phenylcyclopropyl)methanol
CID 106461825
(3-bromofuran-2-yl)-(1-phenylcyclopentyl)methanone
CID 63941252
(5-bromo-3-methyltriazol-4-yl)-(2,6-dichlorophenyl)methanone
CID 106464381
1-(1-phenylcyclopentyl)propan-1-one
CID 63080096
(5-bromo-3-methyltriazol-4-yl)-cyclopentylmethanone
CID 106461493
(2-methoxyphenyl)-(1-phenylcyclopentyl)methanone
CID 63410127

Frequently Asked Questions

What is the IUPAC name of (5-bromo-3-methyltriazol-4-yl)-(1-phenylcyclopentyl)methanone?
The IUPAC name of (5-bromo-3-methyltriazol-4-yl)-(1-phenylcyclopentyl)methanone (CID 106461541) is (5-bromo-3-methyltriazol-4-yl)-(1-phenylcyclopentyl)methanone.
What is the SMILES notation for (5-bromo-3-methyltriazol-4-yl)-(1-phenylcyclopentyl)methanone?
The canonical SMILES for (5-bromo-3-methyltriazol-4-yl)-(1-phenylcyclopentyl)methanone is Cn1nnc(Br)c1C(=O)C1(c2ccccc2)CCCC1.
What is the InChIKey of (5-bromo-3-methyltriazol-4-yl)-(1-phenylcyclopentyl)methanone?
The InChIKey is ITPPOGFFFBCWSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN3O/c1-19-12(14(16)17-18-19)13(20)15(9-5-6-10-15)11-7-3-2-4-8-11/h2-4,7-8H,5-6,9-10H2,1H3.
What are the key properties of (5-bromo-3-methyltriazol-4-yl)-(1-phenylcyclopentyl)methanone?
(5-bromo-3-methyltriazol-4-yl)-(1-phenylcyclopentyl)methanone has a molecular weight of 334.22 g/mol, XLogP of 3.27, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-3-methyltriazol-4-yl)-(1-phenylcyclopentyl)methanone is sourced from PubChem (CID 106461541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).