[(2-chloro-4-pyridinyl)-(3-propyltriazol-4-yl)methyl]hydrazine

C11H15ClN6 — CID 105252709

IUPAC[(2-chloro-4-pyridinyl)-(3-propyltriazol-4-yl)methyl]hydrazine
SMILESCCCn1nncc1C(NN)c1ccnc(Cl)c1
InChIInChI=1S/C11H15ClN6/c1-2-5-18-9(7-15-17-18)11(16-13)8-3-4-14-10(12)6-8/h3-4,6-7,11,16H,2,5,13H2,1H3
InChIKeySMYTYFHARPGRQR-UHFFFAOYSA-N
MW266.74 g/mol
LogP1.29
Rot. Bonds5

About [(2-chloro-4-pyridinyl)-(3-propyltriazol-4-yl)methyl]hydrazine

[(2-chloro-4-pyridinyl)-(3-propyltriazol-4-yl)methyl]hydrazine (PubChem CID 105252709) has the molecular formula C11H15ClN6 and a molecular weight of 266.74 g/mol. Its IUPAC name is [(2-chloro-4-pyridinyl)-(3-propyltriazol-4-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(2-chloro-4-pyridinyl)-(3-propyltriazol-4-yl)methyl]hydrazine
PubChem CID105252709
Molecular FormulaC11H15ClN6
Molecular Weight266.74 g/mol
Exact Mass266.10
IUPAC Name[(2-chloro-4-pyridinyl)-(3-propyltriazol-4-yl)methyl]hydrazine
SMILESCCCn1nncc1C(NN)c1ccnc(Cl)c1
InChIInChI=1S/C11H15ClN6/c1-2-5-18-9(7-15-17-18)11(16-13)8-3-4-14-10(12)6-8/h3-4,6-7,11,16H,2,5,13H2,1H3
InChIKeySMYTYFHARPGRQR-UHFFFAOYSA-N
XLogP1.29
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.74
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [(2-chloro-4-pyridinyl)-(3-propyltriazol-4-yl)methyl]hydrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(6-chloro-3-pyridinyl)-(3-propyltriazol-4-yl)methyl]hydrazine
CID 105253024
[(2,6-dimethyl-4-pyridinyl)-(3-propyltriazol-4-yl)methyl]hydrazine
CID 107504955
[(4-bromophenyl)-(3-propyltriazol-4-yl)methyl]hydrazine
CID 105192382
[(2-chloro-4-pyridinyl)-(3-phenyltriazol-4-yl)methyl]hydrazine
CID 105252908
[(4-bromo-3-fluorophenyl)-(3-propyltriazol-4-yl)methyl]hydrazine
CID 105335616
1-(3,4-dichlorophenyl)-N-methyl-1-(3-propyltriazol-4-yl)methanamine
CID 114688813
[(5-methylpyrimidin-2-yl)-(3-propyltriazol-4-yl)methyl]hydrazine
CID 105261508
[(3-bromo-5-fluorophenyl)-(3-propyltriazol-4-yl)methyl]hydrazine
CID 105238620
[(3-propyltriazol-4-yl)-quinolin-5-ylmethyl]hydrazine
CID 105335484
[(1-methylimidazol-4-yl)-(3-propyltriazol-4-yl)methyl]hydrazine
CID 107979405
[(2-methyl-4-pyridinyl)-(2-propylpyrazol-3-yl)methyl]hydrazine
CID 106756554
[(3-ethyl-1-methylpyrazol-5-yl)-(3-propyltriazol-4-yl)methyl]hydrazine
CID 105335521

Frequently Asked Questions

What is the IUPAC name of [(2-chloro-4-pyridinyl)-(3-propyltriazol-4-yl)methyl]hydrazine?
The IUPAC name of [(2-chloro-4-pyridinyl)-(3-propyltriazol-4-yl)methyl]hydrazine (CID 105252709) is [(2-chloro-4-pyridinyl)-(3-propyltriazol-4-yl)methyl]hydrazine.
What is the SMILES notation for [(2-chloro-4-pyridinyl)-(3-propyltriazol-4-yl)methyl]hydrazine?
The canonical SMILES for [(2-chloro-4-pyridinyl)-(3-propyltriazol-4-yl)methyl]hydrazine is CCCn1nncc1C(NN)c1ccnc(Cl)c1.
What is the InChIKey of [(2-chloro-4-pyridinyl)-(3-propyltriazol-4-yl)methyl]hydrazine?
The InChIKey is SMYTYFHARPGRQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN6/c1-2-5-18-9(7-15-17-18)11(16-13)8-3-4-14-10(12)6-8/h3-4,6-7,11,16H,2,5,13H2,1H3.
What are the key properties of [(2-chloro-4-pyridinyl)-(3-propyltriazol-4-yl)methyl]hydrazine?
[(2-chloro-4-pyridinyl)-(3-propyltriazol-4-yl)methyl]hydrazine has a molecular weight of 266.74 g/mol, XLogP of 1.29, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2-chloro-4-pyridinyl)-(3-propyltriazol-4-yl)methyl]hydrazine is sourced from PubChem (CID 105252709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).