(Z)-4-(5-bromo-3-methyltriazol-4-yl)-N-propan-2-ylpent-3-en-1-amine

C11H19BrN4 — CID 106463882

IUPAC(Z)-4-(5-bromo-3-methyltriazol-4-yl)-N-propan-2-ylpent-3-en-1-amine
SMILESC/C(=C/CCNC(C)C)c1c(Br)nnn1C
InChIInChI=1S/C11H19BrN4/c1-8(2)13-7-5-6-9(3)10-11(12)14-15-16(10)4/h6,8,13H,5,7H2,1-4H3/b9-6-
InChIKeySSNUSVSDFFHJDE-TWGQIWQCSA-N
MW287.21 g/mol
LogP2.37
Rot. Bonds5

About (Z)-4-(5-bromo-3-methyltriazol-4-yl)-N-propan-2-ylpent-3-en-1-amine

(Z)-4-(5-bromo-3-methyltriazol-4-yl)-N-propan-2-ylpent-3-en-1-amine (PubChem CID 106463882) has the molecular formula C11H19BrN4 and a molecular weight of 287.21 g/mol. Its IUPAC name is (Z)-4-(5-bromo-3-methyltriazol-4-yl)-N-propan-2-ylpent-3-en-1-amine.

Molecular Properties

Compound Name(Z)-4-(5-bromo-3-methyltriazol-4-yl)-N-propan-2-ylpent-3-en-1-amine
PubChem CID106463882
Molecular FormulaC11H19BrN4
Molecular Weight287.21 g/mol
Exact Mass286.08
IUPAC Name(Z)-4-(5-bromo-3-methyltriazol-4-yl)-N-propan-2-ylpent-3-en-1-amine
SMILESC/C(=C/CCNC(C)C)c1c(Br)nnn1C
InChIInChI=1S/C11H19BrN4/c1-8(2)13-7-5-6-9(3)10-11(12)14-15-16(10)4/h6,8,13H,5,7H2,1-4H3/b9-6-
InChIKeySSNUSVSDFFHJDE-TWGQIWQCSA-N
XLogP2.37
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.21
LogP ≤ 52.37
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

(Z)-4-(5-bromo-3-methyltriazol-4-yl)-N-propylpent-3-en-1-amine
CID 106463881
4-(5-bromo-3-methyltriazol-4-yl)pent-3-en-1-amine
CID 106463869
4-(4-chloro-1-ethylpyrazol-5-yl)-N-propan-2-ylpent-3-en-1-amine
CID 104940642
2-(5-bromo-3-methyltriazol-4-yl)-4-(propan-2-ylamino)butan-2-ol
CID 106463854
(Z)-4-methyl-5-(1-methyltriazol-4-yl)-N-propan-2-ylpent-3-en-1-amine
CID 107058743
N-propan-2-yl-4-(1-propylpyrazol-4-yl)pent-3-en-1-amine
CID 79598749
1-(5-bromo-3-methyltriazol-4-yl)-2-methylbutan-1-one
CID 106461552
1-(5-bromo-3-methyltriazol-4-yl)-2-propan-2-ylsulfanylethanone
CID 106461572
5-bromo-3-methyltriazole-4-carbothioamide
CID 130586367
(Z)-4-(4-bromo-3-chloro-2-fluorophenyl)-N-propan-2-ylpent-3-en-1-amine
CID 106763774
(Z)-4-(2,3-dihydrofuran-5-yl)-N-propan-2-ylpent-3-en-1-amine
CID 102652357
1-(5-bromo-3-methyltriazol-4-yl)-2-ethoxy-3-methylbutan-1-one
CID 106461716

Frequently Asked Questions

What is the IUPAC name of (Z)-4-(5-bromo-3-methyltriazol-4-yl)-N-propan-2-ylpent-3-en-1-amine?
The IUPAC name of (Z)-4-(5-bromo-3-methyltriazol-4-yl)-N-propan-2-ylpent-3-en-1-amine (CID 106463882) is (Z)-4-(5-bromo-3-methyltriazol-4-yl)-N-propan-2-ylpent-3-en-1-amine.
What is the SMILES notation for (Z)-4-(5-bromo-3-methyltriazol-4-yl)-N-propan-2-ylpent-3-en-1-amine?
The canonical SMILES for (Z)-4-(5-bromo-3-methyltriazol-4-yl)-N-propan-2-ylpent-3-en-1-amine is C/C(=C/CCNC(C)C)c1c(Br)nnn1C.
What is the InChIKey of (Z)-4-(5-bromo-3-methyltriazol-4-yl)-N-propan-2-ylpent-3-en-1-amine?
The InChIKey is SSNUSVSDFFHJDE-TWGQIWQCSA-N. The full InChI is InChI=1S/C11H19BrN4/c1-8(2)13-7-5-6-9(3)10-11(12)14-15-16(10)4/h6,8,13H,5,7H2,1-4H3/b9-6-.
What are the key properties of (Z)-4-(5-bromo-3-methyltriazol-4-yl)-N-propan-2-ylpent-3-en-1-amine?
(Z)-4-(5-bromo-3-methyltriazol-4-yl)-N-propan-2-ylpent-3-en-1-amine has a molecular weight of 287.21 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-(5-bromo-3-methyltriazol-4-yl)-N-propan-2-ylpent-3-en-1-amine is sourced from PubChem (CID 106463882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).