5-bromo-1-[(1-methylcyclopentyl)methyl]-1,2,4-triazol-3-amine

C9H15BrN4 — CID 130578082

IUPAC5-bromo-1-[(1-methylcyclopentyl)methyl]-1,2,4-triazol-3-amine
SMILESCC1(Cn2nc(N)nc2Br)CCCC1
InChIInChI=1S/C9H15BrN4/c1-9(4-2-3-5-9)6-14-7(10)12-8(11)13-14/h2-6H2,1H3,(H2,11,13)
InChIKeyRHKIIQDBOWVYCU-UHFFFAOYSA-N
MW259.15 g/mol
LogP2.20
Rot. Bonds2

About 5-bromo-1-[(1-methylcyclopentyl)methyl]-1,2,4-triazol-3-amine

5-bromo-1-[(1-methylcyclopentyl)methyl]-1,2,4-triazol-3-amine (PubChem CID 130578082) has the molecular formula C9H15BrN4 and a molecular weight of 259.15 g/mol. Its IUPAC name is 5-bromo-1-[(1-methylcyclopentyl)methyl]-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-bromo-1-[(1-methylcyclopentyl)methyl]-1,2,4-triazol-3-amine
PubChem CID130578082
Molecular FormulaC9H15BrN4
Molecular Weight259.15 g/mol
Exact Mass258.05
IUPAC Name5-bromo-1-[(1-methylcyclopentyl)methyl]-1,2,4-triazol-3-amine
SMILESCC1(Cn2nc(N)nc2Br)CCCC1
InChIInChI=1S/C9H15BrN4/c1-9(4-2-3-5-9)6-14-7(10)12-8(11)13-14/h2-6H2,1H3,(H2,11,13)
InChIKeyRHKIIQDBOWVYCU-UHFFFAOYSA-N
XLogP2.20
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.15
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-1-[(1-methylcyclobutyl)methyl]-1,2,4-triazol-3-amine
CID 130601068
5-bromo-1-[(3,3-dimethylcyclobutyl)methyl]-1,2,4-triazol-3-amine
CID 165480409
methyl 3-(3-amino-5-bromo-1,2,4-triazol-1-yl)propanoate
CID 103098621
5-methyl-1-[(1-methylcyclobutyl)methyl]pyrazol-4-amine
CID 165480554
5-bromo-1-(2-methylsulfinylethyl)-1,2,4-triazol-3-amine
CID 130789722
5-bromo-1-(2-cyclopentyloxyethyl)-1,2,4-triazol-3-amine
CID 165480189
4-bromo-3-[1-[(1-methylcyclopentyl)methyl]tetrazol-5-yl]aniline
CID 63829617
5-bromo-1-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-1,2,4-triazol-3-amine
CID 165481819
5-bromo-1-(2-methoxybutyl)-1,2,4-triazol-3-amine
CID 165479454
5-bromo-1-[2-(3-methylbutoxy)ethyl]-1,2,4-triazol-3-amine
CID 103098448
5-bromo-1-[2-(trifluoromethoxy)ethyl]-1,2,4-triazol-3-amine
CID 103098625
5-bromo-1-[(3,5-difluorophenyl)methyl]-1,2,4-triazol-3-amine
CID 103098532

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-[(1-methylcyclopentyl)methyl]-1,2,4-triazol-3-amine?
The IUPAC name of 5-bromo-1-[(1-methylcyclopentyl)methyl]-1,2,4-triazol-3-amine (CID 130578082) is 5-bromo-1-[(1-methylcyclopentyl)methyl]-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-bromo-1-[(1-methylcyclopentyl)methyl]-1,2,4-triazol-3-amine?
The canonical SMILES for 5-bromo-1-[(1-methylcyclopentyl)methyl]-1,2,4-triazol-3-amine is CC1(Cn2nc(N)nc2Br)CCCC1.
What is the InChIKey of 5-bromo-1-[(1-methylcyclopentyl)methyl]-1,2,4-triazol-3-amine?
The InChIKey is RHKIIQDBOWVYCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15BrN4/c1-9(4-2-3-5-9)6-14-7(10)12-8(11)13-14/h2-6H2,1H3,(H2,11,13).
What are the key properties of 5-bromo-1-[(1-methylcyclopentyl)methyl]-1,2,4-triazol-3-amine?
5-bromo-1-[(1-methylcyclopentyl)methyl]-1,2,4-triazol-3-amine has a molecular weight of 259.15 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-[(1-methylcyclopentyl)methyl]-1,2,4-triazol-3-amine is sourced from PubChem (CID 130578082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).