[(3-chloro-4-iodophenyl)-(3-methyltriazol-4-yl)methyl]hydrazine

C10H11ClIN5 — CID 103217790

IUPAC[(3-chloro-4-iodophenyl)-(3-methyltriazol-4-yl)methyl]hydrazine
SMILESCn1nncc1C(NN)c1ccc(I)c(Cl)c1
InChIInChI=1S/C10H11ClIN5/c1-17-9(5-14-16-17)10(15-13)6-2-3-8(12)7(11)4-6/h2-5,10,15H,13H2,1H3
InChIKeyGJIMXWKEKMWHNZ-UHFFFAOYSA-N
MW363.59 g/mol
LogP1.63
Rot. Bonds3

About [(3-chloro-4-iodophenyl)-(3-methyltriazol-4-yl)methyl]hydrazine

[(3-chloro-4-iodophenyl)-(3-methyltriazol-4-yl)methyl]hydrazine (PubChem CID 103217790) has the molecular formula C10H11ClIN5 and a molecular weight of 363.59 g/mol. Its IUPAC name is [(3-chloro-4-iodophenyl)-(3-methyltriazol-4-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(3-chloro-4-iodophenyl)-(3-methyltriazol-4-yl)methyl]hydrazine
PubChem CID103217790
Molecular FormulaC10H11ClIN5
Molecular Weight363.59 g/mol
Exact Mass362.97
IUPAC Name[(3-chloro-4-iodophenyl)-(3-methyltriazol-4-yl)methyl]hydrazine
SMILESCn1nncc1C(NN)c1ccc(I)c(Cl)c1
InChIInChI=1S/C10H11ClIN5/c1-17-9(5-14-16-17)10(15-13)6-2-3-8(12)7(11)4-6/h2-5,10,15H,13H2,1H3
InChIKeyGJIMXWKEKMWHNZ-UHFFFAOYSA-N
XLogP1.63
TPSA68.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.59
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[(3-methyltriazol-4-yl)-pyridin-4-ylmethyl]hydrazine
CID 105196426
[(4-methylsulfanylphenyl)-(3-methyltriazol-4-yl)methyl]hydrazine
CID 105337638
[(3-chloro-4-iodophenyl)-(3,4-dichlorophenyl)methyl]hydrazine
CID 103217225
N-[(3-chloro-4-iodophenyl)-(3-propyltriazol-4-yl)methyl]propan-1-amine
CID 103216251
[[3-(difluoromethoxy)phenyl]-(3-methyltriazol-4-yl)methyl]hydrazine
CID 105337538
[(2-methylpyrazol-3-yl)-(3-methyltriazol-4-yl)methyl]hydrazine
CID 105337508
[(3-chloro-4-iodophenyl)-(5-methylthiophen-2-yl)methyl]hydrazine
CID 103217604
[(3-chloro-4-iodophenyl)-(5-methylthiophen-3-yl)methyl]hydrazine
CID 103217548
N,N-dimethyl-4-[methylamino-(3-methyltriazol-4-yl)methyl]aniline
CID 105184667
[(3-chloro-4-iodophenyl)-(4-methoxy-2,5-dimethylphenyl)methyl]hydrazine
CID 103217745
[(3-chloro-4-iodophenyl)-(2-methoxy-3,4-dimethylphenyl)methyl]hydrazine
CID 103436374
[(5-bromo-2-methylphenyl)-(3-methyltriazol-4-yl)methyl]hydrazine
CID 105337546

Frequently Asked Questions

What is the IUPAC name of [(3-chloro-4-iodophenyl)-(3-methyltriazol-4-yl)methyl]hydrazine?
The IUPAC name of [(3-chloro-4-iodophenyl)-(3-methyltriazol-4-yl)methyl]hydrazine (CID 103217790) is [(3-chloro-4-iodophenyl)-(3-methyltriazol-4-yl)methyl]hydrazine.
What is the SMILES notation for [(3-chloro-4-iodophenyl)-(3-methyltriazol-4-yl)methyl]hydrazine?
The canonical SMILES for [(3-chloro-4-iodophenyl)-(3-methyltriazol-4-yl)methyl]hydrazine is Cn1nncc1C(NN)c1ccc(I)c(Cl)c1.
What is the InChIKey of [(3-chloro-4-iodophenyl)-(3-methyltriazol-4-yl)methyl]hydrazine?
The InChIKey is GJIMXWKEKMWHNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClIN5/c1-17-9(5-14-16-17)10(15-13)6-2-3-8(12)7(11)4-6/h2-5,10,15H,13H2,1H3.
What are the key properties of [(3-chloro-4-iodophenyl)-(3-methyltriazol-4-yl)methyl]hydrazine?
[(3-chloro-4-iodophenyl)-(3-methyltriazol-4-yl)methyl]hydrazine has a molecular weight of 363.59 g/mol, XLogP of 1.63, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3-chloro-4-iodophenyl)-(3-methyltriazol-4-yl)methyl]hydrazine is sourced from PubChem (CID 103217790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).