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

C11H21BrN4 — CID 106463504

IUPAC1-(5-bromo-3-methyltriazol-4-yl)-N-propylpentan-3-amine
SMILESCCCNC(CC)CCc1c(Br)nnn1C
InChIInChI=1S/C11H21BrN4/c1-4-8-13-9(5-2)6-7-10-11(12)14-15-16(10)3/h9,13H,4-8H2,1-3H3
InChIKeyHOVCYTHSELFXAP-UHFFFAOYSA-N
MW289.22 g/mol
LogP2.29
Rot. Bonds7

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

1-(5-bromo-3-methyltriazol-4-yl)-N-propylpentan-3-amine (PubChem CID 106463504) has the molecular formula C11H21BrN4 and a molecular weight of 289.22 g/mol. Its IUPAC name is 1-(5-bromo-3-methyltriazol-4-yl)-N-propylpentan-3-amine.

Molecular Properties

Compound Name1-(5-bromo-3-methyltriazol-4-yl)-N-propylpentan-3-amine
PubChem CID106463504
Molecular FormulaC11H21BrN4
Molecular Weight289.22 g/mol
Exact Mass288.09
IUPAC Name1-(5-bromo-3-methyltriazol-4-yl)-N-propylpentan-3-amine
SMILESCCCNC(CC)CCc1c(Br)nnn1C
InChIInChI=1S/C11H21BrN4/c1-4-8-13-9(5-2)6-7-10-11(12)14-15-16(10)3/h9,13H,4-8H2,1-3H3
InChIKeyHOVCYTHSELFXAP-UHFFFAOYSA-N
XLogP2.29
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.22
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-bromo-3-methyltriazol-4-yl)-N-methylpentan-3-amine
CID 106463502
3-(5-bromo-3-methyltriazol-4-yl)-N-propylpropan-1-amine
CID 106463483
4-bromo-5-(3-bromobutyl)-1-methyltriazole
CID 106463580
4-bromo-5-(3-bromo-4-methylpentyl)-1-methyltriazole
CID 106463586
1-(5-bromo-3-methyltriazol-4-yl)-4-methylpentan-3-amine
CID 106463477
N-[(5-bromo-3-methyltriazol-4-yl)-(2,2,3,3-tetramethylcyclopropyl)methyl]propan-1-amine
CID 106464590
N-[1-(5-bromo-3-methyltriazol-4-yl)-2,2-difluoroethyl]propan-1-amine
CID 106465403
1-(5-bromo-3-methyltriazol-4-yl)-3-methoxy-N-propylpropan-1-amine
CID 106462207
1-(3-methyltriazol-4-yl)-N-propylhexan-3-amine
CID 114690385
3-(5-bromo-3-methyltriazol-4-yl)propan-1-amine
CID 84786450
N-[1-(5-bromo-3-methyltriazol-4-yl)-2-methoxyethyl]propan-1-amine
CID 106462218
1-(1-pentan-3-ylpyrazol-3-yl)-N-propylpentan-3-amine
CID 64783240

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-3-methyltriazol-4-yl)-N-propylpentan-3-amine?
The IUPAC name of 1-(5-bromo-3-methyltriazol-4-yl)-N-propylpentan-3-amine (CID 106463504) is 1-(5-bromo-3-methyltriazol-4-yl)-N-propylpentan-3-amine.
What is the SMILES notation for 1-(5-bromo-3-methyltriazol-4-yl)-N-propylpentan-3-amine?
The canonical SMILES for 1-(5-bromo-3-methyltriazol-4-yl)-N-propylpentan-3-amine is CCCNC(CC)CCc1c(Br)nnn1C.
What is the InChIKey of 1-(5-bromo-3-methyltriazol-4-yl)-N-propylpentan-3-amine?
The InChIKey is HOVCYTHSELFXAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21BrN4/c1-4-8-13-9(5-2)6-7-10-11(12)14-15-16(10)3/h9,13H,4-8H2,1-3H3.
What are the key properties of 1-(5-bromo-3-methyltriazol-4-yl)-N-propylpentan-3-amine?
1-(5-bromo-3-methyltriazol-4-yl)-N-propylpentan-3-amine has a molecular weight of 289.22 g/mol, XLogP of 2.29, 7 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)-N-propylpentan-3-amine is sourced from PubChem (CID 106463504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).