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

C10H19BrN4 — CID 106463919

IUPAC3-(5-bromo-3-methyltriazol-4-yl)-N-propylbutan-1-amine
SMILESCCCNCCC(C)c1c(Br)nnn1C
InChIInChI=1S/C10H19BrN4/c1-4-6-12-7-5-8(2)9-10(11)13-14-15(9)3/h8,12H,4-7H2,1-3H3
InChIKeyJQXMQMJFZOVFRI-UHFFFAOYSA-N
MW275.19 g/mol
LogP2.07
Rot. Bonds6

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

3-(5-bromo-3-methyltriazol-4-yl)-N-propylbutan-1-amine (PubChem CID 106463919) has the molecular formula C10H19BrN4 and a molecular weight of 275.19 g/mol. Its IUPAC name is 3-(5-bromo-3-methyltriazol-4-yl)-N-propylbutan-1-amine.

Molecular Properties

Compound Name3-(5-bromo-3-methyltriazol-4-yl)-N-propylbutan-1-amine
PubChem CID106463919
Molecular FormulaC10H19BrN4
Molecular Weight275.19 g/mol
Exact Mass274.08
IUPAC Name3-(5-bromo-3-methyltriazol-4-yl)-N-propylbutan-1-amine
SMILESCCCNCCC(C)c1c(Br)nnn1C
InChIInChI=1S/C10H19BrN4/c1-4-6-12-7-5-8(2)9-10(11)13-14-15(9)3/h8,12H,4-7H2,1-3H3
InChIKeyJQXMQMJFZOVFRI-UHFFFAOYSA-N
XLogP2.07
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.19
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-(5-bromo-3-methyltriazol-4-yl)-N-propylbutan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(5-bromo-3-methyltriazol-4-yl)-2,2-difluoroethyl]propan-1-amine
CID 106465403
3-(5-bromo-3-methyltriazol-4-yl)-N-propylpropan-1-amine
CID 106463483
1-(5-bromo-3-methyltriazol-4-yl)-3-methoxy-N-propylpropan-1-amine
CID 106462207
N-[1-(5-bromo-3-methyltriazol-4-yl)-2-propan-2-yloxyethyl]propan-1-amine
CID 106464746
N-[1-(5-bromo-3-methyltriazol-4-yl)-2-methoxyethyl]propan-1-amine
CID 106462218
1-(5-bromo-3-methyltriazol-4-yl)-N,2-dimethylpropan-1-amine
CID 106462131
N-[(4-bromo-3,5-dimethylphenyl)-(5-bromo-3-methyltriazol-4-yl)methyl]propan-1-amine
CID 106463063
1-(5-bromo-3-methyltriazol-4-yl)-2-propylpentan-1-ol
CID 106465426
1-(5-bromo-3-methyltriazol-4-yl)hexan-1-ol
CID 106461231
4-(5-bromo-3-methyltriazol-4-yl)pentan-2-one
CID 106463463
1-(5-bromo-3-methyltriazol-4-yl)pentan-1-amine
CID 106462704
N-[(5-bromo-3-methyltriazol-4-yl)-(2,2,3,3-tetramethylcyclopropyl)methyl]propan-1-amine
CID 106464590

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-3-methyltriazol-4-yl)-N-propylbutan-1-amine?
The IUPAC name of 3-(5-bromo-3-methyltriazol-4-yl)-N-propylbutan-1-amine (CID 106463919) is 3-(5-bromo-3-methyltriazol-4-yl)-N-propylbutan-1-amine.
What is the SMILES notation for 3-(5-bromo-3-methyltriazol-4-yl)-N-propylbutan-1-amine?
The canonical SMILES for 3-(5-bromo-3-methyltriazol-4-yl)-N-propylbutan-1-amine is CCCNCCC(C)c1c(Br)nnn1C.
What is the InChIKey of 3-(5-bromo-3-methyltriazol-4-yl)-N-propylbutan-1-amine?
The InChIKey is JQXMQMJFZOVFRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19BrN4/c1-4-6-12-7-5-8(2)9-10(11)13-14-15(9)3/h8,12H,4-7H2,1-3H3.
What are the key properties of 3-(5-bromo-3-methyltriazol-4-yl)-N-propylbutan-1-amine?
3-(5-bromo-3-methyltriazol-4-yl)-N-propylbutan-1-amine has a molecular weight of 275.19 g/mol, XLogP of 2.07, 6 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-propylbutan-1-amine is sourced from PubChem (CID 106463919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).