4-(5-bromo-3-methyltriazol-4-yl)pent-3-en-1-amine

C8H13BrN4 — CID 106463869

IUPAC4-(5-bromo-3-methyltriazol-4-yl)pent-3-en-1-amine
SMILESCC(=CCCN)c1c(Br)nnn1C
InChIInChI=1S/C8H13BrN4/c1-6(4-3-5-10)7-8(9)11-12-13(7)2/h4H,3,5,10H2,1-2H3
InChIKeyLRBFYJZUGLEVQN-UHFFFAOYSA-N
MW245.12 g/mol
LogP1.33
Rot. Bonds3

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

4-(5-bromo-3-methyltriazol-4-yl)pent-3-en-1-amine (PubChem CID 106463869) has the molecular formula C8H13BrN4 and a molecular weight of 245.12 g/mol. Its IUPAC name is 4-(5-bromo-3-methyltriazol-4-yl)pent-3-en-1-amine.

Molecular Properties

Compound Name4-(5-bromo-3-methyltriazol-4-yl)pent-3-en-1-amine
PubChem CID106463869
Molecular FormulaC8H13BrN4
Molecular Weight245.12 g/mol
Exact Mass244.03
IUPAC Name4-(5-bromo-3-methyltriazol-4-yl)pent-3-en-1-amine
SMILESCC(=CCCN)c1c(Br)nnn1C
InChIInChI=1S/C8H13BrN4/c1-6(4-3-5-10)7-8(9)11-12-13(7)2/h4H,3,5,10H2,1-2H3
InChIKeyLRBFYJZUGLEVQN-UHFFFAOYSA-N
XLogP1.33
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.12
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(Z)-4-(5-bromo-3-methyltriazol-4-yl)-N-propan-2-ylpent-3-en-1-amine
CID 106463882
(Z)-4-(5-bromo-3-methyltriazol-4-yl)-N-propylpent-3-en-1-amine
CID 106463881
3-amino-1-(5-bromo-3-methyltriazol-4-yl)propan-1-one
CID 84795806
5-bromo-3-methyltriazole-4-carbothioamide
CID 130586367
[4-(2-aminoethyl)phenyl]-(5-bromo-3-methyltriazol-4-yl)methanone
CID 106464156
3-(5-bromo-3-methyltriazol-4-yl)propan-1-amine
CID 84786450
[4-(aminomethyl)cyclohexyl]-(5-bromo-3-methyltriazol-4-yl)methanone
CID 106464204
4-(1,3-dimethylpyrazol-4-yl)pent-3-en-1-amine
CID 77059197
1-(5-bromo-3-methyltriazol-4-yl)-2-ethylsulfanylethanone
CID 106461570
1-(5-bromo-3-methyltriazol-4-yl)-2-methylbutan-1-one
CID 106461552
1-(5-bromo-3-methyltriazol-4-yl)-2-ethyl-2-hydroxybutan-1-one
CID 106461758
1-(5-bromo-3-methyltriazol-4-yl)-2-propan-2-ylsulfanylethanone
CID 106461572

Frequently Asked Questions

What is the IUPAC name of 4-(5-bromo-3-methyltriazol-4-yl)pent-3-en-1-amine?
The IUPAC name of 4-(5-bromo-3-methyltriazol-4-yl)pent-3-en-1-amine (CID 106463869) is 4-(5-bromo-3-methyltriazol-4-yl)pent-3-en-1-amine.
What is the SMILES notation for 4-(5-bromo-3-methyltriazol-4-yl)pent-3-en-1-amine?
The canonical SMILES for 4-(5-bromo-3-methyltriazol-4-yl)pent-3-en-1-amine is CC(=CCCN)c1c(Br)nnn1C.
What is the InChIKey of 4-(5-bromo-3-methyltriazol-4-yl)pent-3-en-1-amine?
The InChIKey is LRBFYJZUGLEVQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13BrN4/c1-6(4-3-5-10)7-8(9)11-12-13(7)2/h4H,3,5,10H2,1-2H3.
What are the key properties of 4-(5-bromo-3-methyltriazol-4-yl)pent-3-en-1-amine?
4-(5-bromo-3-methyltriazol-4-yl)pent-3-en-1-amine has a molecular weight of 245.12 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromo-3-methyltriazol-4-yl)pent-3-en-1-amine is sourced from PubChem (CID 106463869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).