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

C9H13BrN4O — CID 106464088

IUPAC(1-aminocyclopentyl)-(5-bromo-3-methyltriazol-4-yl)methanone
SMILESCn1nnc(Br)c1C(=O)C1(N)CCCC1
InChIInChI=1S/C9H13BrN4O/c1-14-6(8(10)12-13-14)7(15)9(11)4-2-3-5-9/h2-5,11H2,1H3
InChIKeyDIBREYKJDSIFCO-UHFFFAOYSA-N
MW273.13 g/mol
LogP1.03
Rot. Bonds2

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

(1-aminocyclopentyl)-(5-bromo-3-methyltriazol-4-yl)methanone (PubChem CID 106464088) has the molecular formula C9H13BrN4O and a molecular weight of 273.13 g/mol. Its IUPAC name is (1-aminocyclopentyl)-(5-bromo-3-methyltriazol-4-yl)methanone.

Molecular Properties

Compound Name(1-aminocyclopentyl)-(5-bromo-3-methyltriazol-4-yl)methanone
PubChem CID106464088
Molecular FormulaC9H13BrN4O
Molecular Weight273.13 g/mol
Exact Mass272.03
IUPAC Name(1-aminocyclopentyl)-(5-bromo-3-methyltriazol-4-yl)methanone
SMILESCn1nnc(Br)c1C(=O)C1(N)CCCC1
InChIInChI=1S/C9H13BrN4O/c1-14-6(8(10)12-13-14)7(15)9(11)4-2-3-5-9/h2-5,11H2,1H3
InChIKeyDIBREYKJDSIFCO-UHFFFAOYSA-N
XLogP1.03
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.13
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(5-bromo-3-methyltriazol-4-yl)-(1-ethoxycyclopentyl)methanone
CID 106461726
(5-bromo-3-methyltriazol-4-yl)-(1-ethoxycyclohexyl)methanone
CID 106461728
(5-bromo-3-methyltriazol-4-yl)-(1-phenylcyclopentyl)methanone
CID 106461541
(1-aminocyclopentyl)-(4-bromo-1-methylpyrazol-5-yl)methanone
CID 114668649
(5-bromo-3-methyltriazol-4-yl)-(1-methoxy-4-methylcyclohexyl)methanone
CID 106461731
(5-bromo-3-methyltriazol-4-yl)-cyclopentylmethanone
CID 106461493
2-(azepan-1-yl)-1-(5-bromo-3-methyltriazol-4-yl)-2-methylpropan-1-one
CID 106461615
1-(5-bromo-3-methyltriazol-4-yl)-2-(1-methoxycyclobutyl)ethanone
CID 106464364
5-bromo-3-methyltriazole-4-carbothioamide
CID 130586367
(2-aminocyclohexyl)-(5-bromo-3-methyltriazol-4-yl)methanone
CID 106464163
(5-bromo-3-methyltriazol-4-yl)-(cyclohexen-1-yl)methanone
CID 106461763
3-amino-1-(5-bromo-3-methyltriazol-4-yl)propan-1-one
CID 84795806

Frequently Asked Questions

What is the IUPAC name of (1-aminocyclopentyl)-(5-bromo-3-methyltriazol-4-yl)methanone?
The IUPAC name of (1-aminocyclopentyl)-(5-bromo-3-methyltriazol-4-yl)methanone (CID 106464088) is (1-aminocyclopentyl)-(5-bromo-3-methyltriazol-4-yl)methanone.
What is the SMILES notation for (1-aminocyclopentyl)-(5-bromo-3-methyltriazol-4-yl)methanone?
The canonical SMILES for (1-aminocyclopentyl)-(5-bromo-3-methyltriazol-4-yl)methanone is Cn1nnc(Br)c1C(=O)C1(N)CCCC1.
What is the InChIKey of (1-aminocyclopentyl)-(5-bromo-3-methyltriazol-4-yl)methanone?
The InChIKey is DIBREYKJDSIFCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrN4O/c1-14-6(8(10)12-13-14)7(15)9(11)4-2-3-5-9/h2-5,11H2,1H3.
What are the key properties of (1-aminocyclopentyl)-(5-bromo-3-methyltriazol-4-yl)methanone?
(1-aminocyclopentyl)-(5-bromo-3-methyltriazol-4-yl)methanone has a molecular weight of 273.13 g/mol, XLogP of 1.03, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-aminocyclopentyl)-(5-bromo-3-methyltriazol-4-yl)methanone is sourced from PubChem (CID 106464088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).