1-(aminodiazenyl)-3-chloro-2-methylbenzene

C7H8ClN3 — CID 126516374

IUPAC1-(aminodiazenyl)-3-chloro-2-methylbenzene
SMILESCc1c(Cl)cccc1/N=N/N
InChIInChI=1S/C7H8ClN3/c1-5-6(8)3-2-4-7(5)10-11-9/h2-4H,1H3,(H2,9,10)
InChIKeyKQICGONBSRZANJ-UHFFFAOYSA-N
MW169.62 g/mol
LogP2.61
Rot. Bonds1

About 1-(aminodiazenyl)-3-chloro-2-methylbenzene

1-(aminodiazenyl)-3-chloro-2-methylbenzene (PubChem CID 126516374) has the molecular formula C7H8ClN3 and a molecular weight of 169.62 g/mol. Its IUPAC name is 1-(aminodiazenyl)-3-chloro-2-methylbenzene.

Molecular Properties

Compound Name1-(aminodiazenyl)-3-chloro-2-methylbenzene
PubChem CID126516374
Molecular FormulaC7H8ClN3
Molecular Weight169.62 g/mol
Exact Mass169.04
IUPAC Name1-(aminodiazenyl)-3-chloro-2-methylbenzene
SMILESCc1c(Cl)cccc1/N=N/N
InChIInChI=1S/C7H8ClN3/c1-5-6(8)3-2-4-7(5)10-11-9/h2-4H,1H3,(H2,9,10)
InChIKeyKQICGONBSRZANJ-UHFFFAOYSA-N
XLogP2.61
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.62
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(3-chloro-2-methylphenyl)guanidine
CID 45496576
sodium [(3-chloro-2-methylphenyl)diazenyl]cyanamide
CID 133065677
(3-chloro-2-methylphenyl)imino-diethyl-oxo-λ6-sulfane
CID 125456307
4-[(3-chloro-2-methylphenyl)diazenyl]naphthalen-1-ol
CID 4238323
4-[(3-chloro-2-methylphenyl)diazenyl]-5-methyl-1,2-dihydropyrazol-3-one
CID 968858
1-(aminodiazenyl)-2-methylbenzene
CID 21467423
2-chloro-N'-(3-chloro-2-methylphenyl)ethanimidamide
CID 169369825
N'-(3-chloro-2-methylphenyl)-N,N-dimethylmethanimidamide
CID 25765
1-(aminodiazenyl)-2,3,4-trimethylbenzene
CID 20976812
N-(3-chloro-2-methylphenyl)-1-(1H-pyrrol-2-yl)methanimine
CID 708140
1-N'-(3-chloro-2-methylphenyl)-3-N'-methyl-2-methyliminopropanediimidamide
CID 143329492
4-[(3-chloro-2-methylphenyl)diazenyl]-5-(4-methylphenyl)-1H-pyrazol-3-amine
CID 135505341

Frequently Asked Questions

What is the IUPAC name of 1-(aminodiazenyl)-3-chloro-2-methylbenzene?
The IUPAC name of 1-(aminodiazenyl)-3-chloro-2-methylbenzene (CID 126516374) is 1-(aminodiazenyl)-3-chloro-2-methylbenzene.
What is the SMILES notation for 1-(aminodiazenyl)-3-chloro-2-methylbenzene?
The canonical SMILES for 1-(aminodiazenyl)-3-chloro-2-methylbenzene is Cc1c(Cl)cccc1/N=N/N.
What is the InChIKey of 1-(aminodiazenyl)-3-chloro-2-methylbenzene?
The InChIKey is KQICGONBSRZANJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClN3/c1-5-6(8)3-2-4-7(5)10-11-9/h2-4H,1H3,(H2,9,10).
What are the key properties of 1-(aminodiazenyl)-3-chloro-2-methylbenzene?
1-(aminodiazenyl)-3-chloro-2-methylbenzene has a molecular weight of 169.62 g/mol, XLogP of 2.61, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminodiazenyl)-3-chloro-2-methylbenzene is sourced from PubChem (CID 126516374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).