[1-(5-bromo-3-methyltriazol-4-yl)-3-pyridin-4-ylpropyl]hydrazine

C11H15BrN6 — CID 106466500

IUPAC[1-(5-bromo-3-methyltriazol-4-yl)-3-pyridin-4-ylpropyl]hydrazine
SMILESCn1nnc(Br)c1C(CCc1ccncc1)NN
InChIInChI=1S/C11H15BrN6/c1-18-10(11(12)16-17-18)9(15-13)3-2-8-4-6-14-7-5-8/h4-7,9,15H,2-3,13H2,1H3
InChIKeyRLBQTZQXFDGBPD-UHFFFAOYSA-N
MW311.19 g/mol
LogP1.11
Rot. Bonds5

About [1-(5-bromo-3-methyltriazol-4-yl)-3-pyridin-4-ylpropyl]hydrazine

[1-(5-bromo-3-methyltriazol-4-yl)-3-pyridin-4-ylpropyl]hydrazine (PubChem CID 106466500) has the molecular formula C11H15BrN6 and a molecular weight of 311.19 g/mol. Its IUPAC name is [1-(5-bromo-3-methyltriazol-4-yl)-3-pyridin-4-ylpropyl]hydrazine.

Molecular Properties

Compound Name[1-(5-bromo-3-methyltriazol-4-yl)-3-pyridin-4-ylpropyl]hydrazine
PubChem CID106466500
Molecular FormulaC11H15BrN6
Molecular Weight311.19 g/mol
Exact Mass310.05
IUPAC Name[1-(5-bromo-3-methyltriazol-4-yl)-3-pyridin-4-ylpropyl]hydrazine
SMILESCn1nnc(Br)c1C(CCc1ccncc1)NN
InChIInChI=1S/C11H15BrN6/c1-18-10(11(12)16-17-18)9(15-13)3-2-8-4-6-14-7-5-8/h4-7,9,15H,2-3,13H2,1H3
InChIKeyRLBQTZQXFDGBPD-UHFFFAOYSA-N
XLogP1.11
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.19
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1,2,3-Triazole analogue, 27
CID 9833992
3-methyl-2-(1H-1,2,3-triazol-5-yl)pyridine
CID 9877457
5-methyl-2-(1H-1,2,3-triazol-5-yl)pyridine
CID 9942221
4-methyl-2-(1H-1,2,3-triazol-5-yl)pyridine
CID 9964177
2-bromo-4-(1H-1,2,3-triazol-4-yl)pyridine
CID 60156093
(2R)-1-(1-pyridin-4-yltriazol-4-yl)-3-(2,4,5-trifluorophenyl)propan-2-amine
CID 142737231
(2R)-4-(4-pyridin-4-yltriazol-1-yl)-1-(2,4,5-trifluorophenyl)butan-2-amine
CID 92131131
(2R)-4-(4-pyridin-3-yltriazol-1-yl)-1-(2,4,5-trifluorophenyl)butan-2-amine
CID 147633748
(2R)-4-(4-pyridin-2-yltriazol-1-yl)-1-(2,4,5-trifluorophenyl)butan-2-amine
CID 147734944
(2R)-1-(1-pyridin-3-yltriazol-4-yl)-3-(2,4,5-trifluorophenyl)propan-2-amine
CID 162670932
5-bromo-2-(2H-1,2,3-triazol-4-yl)pyridine
CID 9920932
(1-methyl-1H-pyrazol-4-yl)(pyridin-2-yl)methanamine
CID 61676879

Frequently Asked Questions

What is the IUPAC name of [1-(5-bromo-3-methyltriazol-4-yl)-3-pyridin-4-ylpropyl]hydrazine?
The IUPAC name of [1-(5-bromo-3-methyltriazol-4-yl)-3-pyridin-4-ylpropyl]hydrazine (CID 106466500) is [1-(5-bromo-3-methyltriazol-4-yl)-3-pyridin-4-ylpropyl]hydrazine.
What is the SMILES notation for [1-(5-bromo-3-methyltriazol-4-yl)-3-pyridin-4-ylpropyl]hydrazine?
The canonical SMILES for [1-(5-bromo-3-methyltriazol-4-yl)-3-pyridin-4-ylpropyl]hydrazine is Cn1nnc(Br)c1C(CCc1ccncc1)NN.
What is the InChIKey of [1-(5-bromo-3-methyltriazol-4-yl)-3-pyridin-4-ylpropyl]hydrazine?
The InChIKey is RLBQTZQXFDGBPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN6/c1-18-10(11(12)16-17-18)9(15-13)3-2-8-4-6-14-7-5-8/h4-7,9,15H,2-3,13H2,1H3.
What are the key properties of [1-(5-bromo-3-methyltriazol-4-yl)-3-pyridin-4-ylpropyl]hydrazine?
[1-(5-bromo-3-methyltriazol-4-yl)-3-pyridin-4-ylpropyl]hydrazine has a molecular weight of 311.19 g/mol, XLogP of 1.11, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-bromo-3-methyltriazol-4-yl)-3-pyridin-4-ylpropyl]hydrazine is sourced from PubChem (CID 106466500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).