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

C9H17BrN4 — CID 106463477

IUPAC1-(5-bromo-3-methyltriazol-4-yl)-4-methylpentan-3-amine
SMILESCC(C)C(N)CCc1c(Br)nnn1C
InChIInChI=1S/C9H17BrN4/c1-6(2)7(11)4-5-8-9(10)12-13-14(8)3/h6-7H,4-5,11H2,1-3H3
InChIKeyFBXPVIQZPWRGRT-UHFFFAOYSA-N
MW261.17 g/mol
LogP1.49
Rot. Bonds4

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

1-(5-bromo-3-methyltriazol-4-yl)-4-methylpentan-3-amine (PubChem CID 106463477) has the molecular formula C9H17BrN4 and a molecular weight of 261.17 g/mol. Its IUPAC name is 1-(5-bromo-3-methyltriazol-4-yl)-4-methylpentan-3-amine.

Molecular Properties

Compound Name1-(5-bromo-3-methyltriazol-4-yl)-4-methylpentan-3-amine
PubChem CID106463477
Molecular FormulaC9H17BrN4
Molecular Weight261.17 g/mol
Exact Mass260.06
IUPAC Name1-(5-bromo-3-methyltriazol-4-yl)-4-methylpentan-3-amine
SMILESCC(C)C(N)CCc1c(Br)nnn1C
InChIInChI=1S/C9H17BrN4/c1-6(2)7(11)4-5-8-9(10)12-13-14(8)3/h6-7H,4-5,11H2,1-3H3
InChIKeyFBXPVIQZPWRGRT-UHFFFAOYSA-N
XLogP1.49
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.17
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-5-(3-bromo-4-methylpentyl)-1-methyltriazole
CID 106463586
4-bromo-5-(3-bromobutyl)-1-methyltriazole
CID 106463580
3-(5-bromo-3-methyltriazol-4-yl)propan-1-amine
CID 84786450
1-(5-bromo-3-methyltriazol-4-yl)-N-methylpentan-3-amine
CID 106463502
1-(5-bromo-3-methyltriazol-4-yl)-N-propylpentan-3-amine
CID 106463504
3-(5-bromo-3-methyltriazol-4-yl)-N-propylpropan-1-amine
CID 106463483
1-(5-bromo-3-methyltriazol-4-yl)-2-ethoxypropan-1-amine
CID 106462416
2-(5-bromo-3-methyltriazol-4-yl)acetic acid
CID 84787238
1-(5-bromo-3-methyltriazol-4-yl)pentan-1-amine
CID 106462704
1-(5-bromo-3-methyltriazol-4-yl)decan-1-amine
CID 106465292
1-(4-methoxy-1-propylpyrazol-5-yl)-4-methylpentan-3-amine
CID 114663877
1,4-dimethyl-5-(3-methylpentyl)triazole;ethane
CID 177341764

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-3-methyltriazol-4-yl)-4-methylpentan-3-amine?
The IUPAC name of 1-(5-bromo-3-methyltriazol-4-yl)-4-methylpentan-3-amine (CID 106463477) is 1-(5-bromo-3-methyltriazol-4-yl)-4-methylpentan-3-amine.
What is the SMILES notation for 1-(5-bromo-3-methyltriazol-4-yl)-4-methylpentan-3-amine?
The canonical SMILES for 1-(5-bromo-3-methyltriazol-4-yl)-4-methylpentan-3-amine is CC(C)C(N)CCc1c(Br)nnn1C.
What is the InChIKey of 1-(5-bromo-3-methyltriazol-4-yl)-4-methylpentan-3-amine?
The InChIKey is FBXPVIQZPWRGRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17BrN4/c1-6(2)7(11)4-5-8-9(10)12-13-14(8)3/h6-7H,4-5,11H2,1-3H3.
What are the key properties of 1-(5-bromo-3-methyltriazol-4-yl)-4-methylpentan-3-amine?
1-(5-bromo-3-methyltriazol-4-yl)-4-methylpentan-3-amine has a molecular weight of 261.17 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-3-methyltriazol-4-yl)-4-methylpentan-3-amine is sourced from PubChem (CID 106463477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).