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

C9H17BrN4 — CID 106463483

IUPAC3-(5-bromo-3-methyltriazol-4-yl)-N-propylpropan-1-amine
SMILESCCCNCCCc1c(Br)nnn1C
InChIInChI=1S/C9H17BrN4/c1-3-6-11-7-4-5-8-9(10)12-13-14(8)2/h11H,3-7H2,1-2H3
InChIKeyLZUFVHZCCKUFBQ-UHFFFAOYSA-N
MW261.17 g/mol
LogP1.51
Rot. Bonds6

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

3-(5-bromo-3-methyltriazol-4-yl)-N-propylpropan-1-amine (PubChem CID 106463483) has the molecular formula C9H17BrN4 and a molecular weight of 261.17 g/mol. Its IUPAC name is 3-(5-bromo-3-methyltriazol-4-yl)-N-propylpropan-1-amine.

Molecular Properties

Compound Name3-(5-bromo-3-methyltriazol-4-yl)-N-propylpropan-1-amine
PubChem CID106463483
Molecular FormulaC9H17BrN4
Molecular Weight261.17 g/mol
Exact Mass260.06
IUPAC Name3-(5-bromo-3-methyltriazol-4-yl)-N-propylpropan-1-amine
SMILESCCCNCCCc1c(Br)nnn1C
InChIInChI=1S/C9H17BrN4/c1-3-6-11-7-4-5-8-9(10)12-13-14(8)2/h11H,3-7H2,1-2H3
InChIKeyLZUFVHZCCKUFBQ-UHFFFAOYSA-N
XLogP1.51
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.17
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(5-bromo-3-methyltriazol-4-yl)propan-1-amine
CID 84786450
1-(5-bromo-3-methyltriazol-4-yl)-N-propylpentan-3-amine
CID 106463504
3-(5-bromo-3-methyltriazol-4-yl)-N-propylbutan-1-amine
CID 106463919
1-(5-bromo-3-methyltriazol-4-yl)-N-methylpentan-3-amine
CID 106463502
(Z)-4-(5-bromo-3-methyltriazol-4-yl)-N-propylpent-3-en-1-amine
CID 106463881
4-bromo-5-(3-bromobutyl)-1-methyltriazole
CID 106463580
3-(1-methyltriazol-4-yl)-N-propylpropan-1-amine
CID 107052835
2-(5-bromo-3-methyltriazol-4-yl)-1-(propylamino)propan-2-ol
CID 106463859
N-[[2-(5-bromo-3-methyltriazol-4-yl)cyclopentyl]methyl]propan-1-amine
CID 106463945
4-bromo-5-(3-bromo-4-methylpentyl)-1-methyltriazole
CID 106463586
1-(5-bromo-3-methyltriazol-4-yl)-4-methylpentan-3-amine
CID 106463477
3-(1-methylimidazol-2-yl)-N-propylpropan-1-amine
CID 64503736

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-3-methyltriazol-4-yl)-N-propylpropan-1-amine?
The IUPAC name of 3-(5-bromo-3-methyltriazol-4-yl)-N-propylpropan-1-amine (CID 106463483) is 3-(5-bromo-3-methyltriazol-4-yl)-N-propylpropan-1-amine.
What is the SMILES notation for 3-(5-bromo-3-methyltriazol-4-yl)-N-propylpropan-1-amine?
The canonical SMILES for 3-(5-bromo-3-methyltriazol-4-yl)-N-propylpropan-1-amine is CCCNCCCc1c(Br)nnn1C.
What is the InChIKey of 3-(5-bromo-3-methyltriazol-4-yl)-N-propylpropan-1-amine?
The InChIKey is LZUFVHZCCKUFBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17BrN4/c1-3-6-11-7-4-5-8-9(10)12-13-14(8)2/h11H,3-7H2,1-2H3.
What are the key properties of 3-(5-bromo-3-methyltriazol-4-yl)-N-propylpropan-1-amine?
3-(5-bromo-3-methyltriazol-4-yl)-N-propylpropan-1-amine has a molecular weight of 261.17 g/mol, XLogP of 1.51, 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-propylpropan-1-amine is sourced from PubChem (CID 106463483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).