5-chloro-2-[1-hydrazinyl-2-(2-methyltetrazol-5-yl)ethyl]aniline

C10H14ClN7 — CID 107066106

IUPAC5-chloro-2-[1-hydrazinyl-2-(2-methyltetrazol-5-yl)ethyl]aniline
SMILESCn1nnc(CC(NN)c2ccc(Cl)cc2N)n1
InChIInChI=1S/C10H14ClN7/c1-18-16-10(15-17-18)5-9(14-13)7-3-2-6(11)4-8(7)12/h2-4,9,14H,5,12-13H2,1H3
InChIKeyZLQWUOJYGKRIMT-UHFFFAOYSA-N
MW267.72 g/mol
LogP0.19
Rot. Bonds4

About 5-chloro-2-[1-hydrazinyl-2-(2-methyltetrazol-5-yl)ethyl]aniline

5-chloro-2-[1-hydrazinyl-2-(2-methyltetrazol-5-yl)ethyl]aniline (PubChem CID 107066106) has the molecular formula C10H14ClN7 and a molecular weight of 267.72 g/mol. Its IUPAC name is 5-chloro-2-[1-hydrazinyl-2-(2-methyltetrazol-5-yl)ethyl]aniline.

Molecular Properties

Compound Name5-chloro-2-[1-hydrazinyl-2-(2-methyltetrazol-5-yl)ethyl]aniline
PubChem CID107066106
Molecular FormulaC10H14ClN7
Molecular Weight267.72 g/mol
Exact Mass267.10
IUPAC Name5-chloro-2-[1-hydrazinyl-2-(2-methyltetrazol-5-yl)ethyl]aniline
SMILESCn1nnc(CC(NN)c2ccc(Cl)cc2N)n1
InChIInChI=1S/C10H14ClN7/c1-18-16-10(15-17-18)5-9(14-13)7-3-2-6(11)4-8(7)12/h2-4,9,14H,5,12-13H2,1H3
InChIKeyZLQWUOJYGKRIMT-UHFFFAOYSA-N
XLogP0.19
TPSA107.67 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.72
LogP ≤ 50.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

[1-(2-chloro-4-fluorophenyl)-2-(2-methyltetrazol-5-yl)ethyl]hydrazine
CID 107066044
[1-(5-bromo-2-chlorophenyl)-2-(2-methyltetrazol-5-yl)ethyl]hydrazine
CID 107066756
2-[1-hydrazinyl-2-(2-methyltetrazol-5-yl)ethyl]-4-(trifluoromethyl)aniline
CID 107066373
[1-(2-bromo-4-methylphenyl)-2-(2-methyltetrazol-5-yl)ethyl]hydrazine
CID 107066919
[1-(2,5-dibromophenyl)-2-(2-methyltetrazol-5-yl)ethyl]hydrazine
CID 107066786
1-(2-bromo-4-chlorophenyl)-N-ethyl-2-(2-methyltetrazol-5-yl)ethanamine
CID 107996077
5-chloro-2-[2-(2,5-dichlorophenyl)-1-hydrazinylethyl]aniline
CID 105224259
[1-(5-bromo-2-methoxyphenyl)-2-(2-methyltetrazol-5-yl)ethyl]hydrazine
CID 112742241
[2-(2-methyltetrazol-5-yl)-1-(2,4,6-trimethylphenyl)ethyl]hydrazine
CID 107066800
5-chloro-2-(1-hydrazinyl-4-methylpentyl)aniline
CID 105224018
[1-(1-methylimidazol-2-yl)-2-(2-methyltetrazol-5-yl)ethyl]hydrazine
CID 107066330
[2-(2-methyltetrazol-5-yl)-1-quinolin-4-ylethyl]hydrazine
CID 107066899

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[1-hydrazinyl-2-(2-methyltetrazol-5-yl)ethyl]aniline?
The IUPAC name of 5-chloro-2-[1-hydrazinyl-2-(2-methyltetrazol-5-yl)ethyl]aniline (CID 107066106) is 5-chloro-2-[1-hydrazinyl-2-(2-methyltetrazol-5-yl)ethyl]aniline.
What is the SMILES notation for 5-chloro-2-[1-hydrazinyl-2-(2-methyltetrazol-5-yl)ethyl]aniline?
The canonical SMILES for 5-chloro-2-[1-hydrazinyl-2-(2-methyltetrazol-5-yl)ethyl]aniline is Cn1nnc(CC(NN)c2ccc(Cl)cc2N)n1.
What is the InChIKey of 5-chloro-2-[1-hydrazinyl-2-(2-methyltetrazol-5-yl)ethyl]aniline?
The InChIKey is ZLQWUOJYGKRIMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN7/c1-18-16-10(15-17-18)5-9(14-13)7-3-2-6(11)4-8(7)12/h2-4,9,14H,5,12-13H2,1H3.
What are the key properties of 5-chloro-2-[1-hydrazinyl-2-(2-methyltetrazol-5-yl)ethyl]aniline?
5-chloro-2-[1-hydrazinyl-2-(2-methyltetrazol-5-yl)ethyl]aniline has a molecular weight of 267.72 g/mol, XLogP of 0.19, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[1-hydrazinyl-2-(2-methyltetrazol-5-yl)ethyl]aniline is sourced from PubChem (CID 107066106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).