3-(5-bromo-3-methyltriazol-4-yl)-N-ethylcyclopentan-1-amine

C10H17BrN4 — CID 106463493

IUPAC3-(5-bromo-3-methyltriazol-4-yl)-N-ethylcyclopentan-1-amine
SMILESCCNC1CCC(c2c(Br)nnn2C)C1
InChIInChI=1S/C10H17BrN4/c1-3-12-8-5-4-7(6-8)9-10(11)13-14-15(9)2/h7-8,12H,3-6H2,1-2H3
InChIKeyWAVMSZFDQAOKCI-UHFFFAOYSA-N
MW273.18 g/mol
LogP1.82
Rot. Bonds3

About 3-(5-bromo-3-methyltriazol-4-yl)-N-ethylcyclopentan-1-amine

3-(5-bromo-3-methyltriazol-4-yl)-N-ethylcyclopentan-1-amine (PubChem CID 106463493) has the molecular formula C10H17BrN4 and a molecular weight of 273.18 g/mol. Its IUPAC name is 3-(5-bromo-3-methyltriazol-4-yl)-N-ethylcyclopentan-1-amine.

Molecular Properties

Compound Name3-(5-bromo-3-methyltriazol-4-yl)-N-ethylcyclopentan-1-amine
PubChem CID106463493
Molecular FormulaC10H17BrN4
Molecular Weight273.18 g/mol
Exact Mass272.06
IUPAC Name3-(5-bromo-3-methyltriazol-4-yl)-N-ethylcyclopentan-1-amine
SMILESCCNC1CCC(c2c(Br)nnn2C)C1
InChIInChI=1S/C10H17BrN4/c1-3-12-8-5-4-7(6-8)9-10(11)13-14-15(9)2/h7-8,12H,3-6H2,1-2H3
InChIKeyWAVMSZFDQAOKCI-UHFFFAOYSA-N
XLogP1.82
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.18
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-bromo-3-methyltriazol-4-yl)-N-ethylcyclopentan-1-amine
CID 106463411
3-(4-chloro-1-methylpyrazol-5-yl)-N-ethylcyclopentan-1-amine
CID 114664100
(3S)-3-N-ethyl-1-N-methylcyclopentane-1,3-diamine
CID 171100893
3-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-N-ethylcycloheptan-1-amine
CID 114664233
N-[[2-(5-bromo-3-methyltriazol-4-yl)cyclopentyl]methyl]propan-1-amine
CID 106463945
2-(5-bromo-3-methyltriazol-4-yl)-4-methylpiperidine
CID 106463437
N-[[4-(5-bromo-3-methyltriazol-4-yl)phenyl]methyl]cyclopropanamine
CID 106463295
3-(2,6-difluorophenyl)-N-ethylcyclopentan-1-amine
CID 64504263
5-cyclopropyl-1,4-dimethyltriazole
CID 126758944
N-[(5-bromo-3-methyltriazol-4-yl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]ethanamine
CID 106462913
N-ethylcyclopropanamine;hydrochloride
CID 43810659
(2R)-N-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
CID 167179387

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-3-methyltriazol-4-yl)-N-ethylcyclopentan-1-amine?
The IUPAC name of 3-(5-bromo-3-methyltriazol-4-yl)-N-ethylcyclopentan-1-amine (CID 106463493) is 3-(5-bromo-3-methyltriazol-4-yl)-N-ethylcyclopentan-1-amine.
What is the SMILES notation for 3-(5-bromo-3-methyltriazol-4-yl)-N-ethylcyclopentan-1-amine?
The canonical SMILES for 3-(5-bromo-3-methyltriazol-4-yl)-N-ethylcyclopentan-1-amine is CCNC1CCC(c2c(Br)nnn2C)C1.
What is the InChIKey of 3-(5-bromo-3-methyltriazol-4-yl)-N-ethylcyclopentan-1-amine?
The InChIKey is WAVMSZFDQAOKCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17BrN4/c1-3-12-8-5-4-7(6-8)9-10(11)13-14-15(9)2/h7-8,12H,3-6H2,1-2H3.
What are the key properties of 3-(5-bromo-3-methyltriazol-4-yl)-N-ethylcyclopentan-1-amine?
3-(5-bromo-3-methyltriazol-4-yl)-N-ethylcyclopentan-1-amine has a molecular weight of 273.18 g/mol, XLogP of 1.82, 3 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)-N-ethylcyclopentan-1-amine is sourced from PubChem (CID 106463493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).