3-(5-bromo-3-methyltriazol-4-yl)propan-1-amine

C6H11BrN4 — CID 84786450

IUPAC3-(5-bromo-3-methyltriazol-4-yl)propan-1-amine
SMILESCn1nnc(Br)c1CCCN
InChIInChI=1S/C6H11BrN4/c1-11-5(3-2-4-8)6(7)9-10-11/h2-4,8H2,1H3
InChIKeyMMOGJXLKRGZZGL-UHFFFAOYSA-N
MW219.09 g/mol
LogP0.47
Rot. Bonds3

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

3-(5-bromo-3-methyltriazol-4-yl)propan-1-amine (PubChem CID 84786450) has the molecular formula C6H11BrN4 and a molecular weight of 219.09 g/mol. Its IUPAC name is 3-(5-bromo-3-methyltriazol-4-yl)propan-1-amine.

Molecular Properties

Compound Name3-(5-bromo-3-methyltriazol-4-yl)propan-1-amine
PubChem CID84786450
Molecular FormulaC6H11BrN4
Molecular Weight219.09 g/mol
Exact Mass218.02
IUPAC Name3-(5-bromo-3-methyltriazol-4-yl)propan-1-amine
SMILESCn1nnc(Br)c1CCCN
InChIInChI=1S/C6H11BrN4/c1-11-5(3-2-4-8)6(7)9-10-11/h2-4,8H2,1H3
InChIKeyMMOGJXLKRGZZGL-UHFFFAOYSA-N
XLogP0.47
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.09
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(5-bromo-3-methyltriazol-4-yl)-N-propylpropan-1-amine
CID 106463483
4-bromo-5-(3-bromobutyl)-1-methyltriazole
CID 106463580
1-(5-bromo-3-methyltriazol-4-yl)-4-methylpentan-3-amine
CID 106463477
4-bromo-5-(3-bromo-4-methylpentyl)-1-methyltriazole
CID 106463586
1-(5-bromo-3-methyltriazol-4-yl)-N-methylpentan-3-amine
CID 106463502
2-(5-bromo-3-methyltriazol-4-yl)acetic acid
CID 84787238
1-(5-bromo-3-methyltriazol-4-yl)-N-propylpentan-3-amine
CID 106463504
N-(4-aminobutyl)-5-bromo-3-methyltriazole-4-sulfonamide
CID 106466343
3-amino-1-(5-bromo-3-methyltriazol-4-yl)propan-1-one
CID 84795806
4-(5-bromo-3-methyltriazol-4-yl)pent-3-en-1-amine
CID 106463869
3-[1-(2-methoxyethyl)tetrazol-5-yl]propan-1-amine
CID 82228414
4-bromo-1-hexyl-5-propyltriazole
CID 69388967

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-3-methyltriazol-4-yl)propan-1-amine?
The IUPAC name of 3-(5-bromo-3-methyltriazol-4-yl)propan-1-amine (CID 84786450) is 3-(5-bromo-3-methyltriazol-4-yl)propan-1-amine.
What is the SMILES notation for 3-(5-bromo-3-methyltriazol-4-yl)propan-1-amine?
The canonical SMILES for 3-(5-bromo-3-methyltriazol-4-yl)propan-1-amine is Cn1nnc(Br)c1CCCN.
What is the InChIKey of 3-(5-bromo-3-methyltriazol-4-yl)propan-1-amine?
The InChIKey is MMOGJXLKRGZZGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11BrN4/c1-11-5(3-2-4-8)6(7)9-10-11/h2-4,8H2,1H3.
What are the key properties of 3-(5-bromo-3-methyltriazol-4-yl)propan-1-amine?
3-(5-bromo-3-methyltriazol-4-yl)propan-1-amine has a molecular weight of 219.09 g/mol, XLogP of 0.47, 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)propan-1-amine is sourced from PubChem (CID 84786450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).