1-[1-(2-chloro-5-nitrophenyl)tetrazol-5-yl]-N-methylethanamine

C10H11ClN6O2 — CID 103086024

IUPAC1-[1-(2-chloro-5-nitrophenyl)tetrazol-5-yl]-N-methylethanamine
SMILESCNC(C)c1nnnn1-c1cc([N+](=O)[O-])ccc1Cl
InChIInChI=1S/C10H11ClN6O2/c1-6(12-2)10-13-14-15-16(10)9-5-7(17(18)19)3-4-8(9)11/h3-6,12H,1-2H3
InChIKeyFUILRXBBQKINMY-UHFFFAOYSA-N
MW282.69 g/mol
LogP1.50
Rot. Bonds4

About 1-[1-(2-chloro-5-nitrophenyl)tetrazol-5-yl]-N-methylethanamine

1-[1-(2-chloro-5-nitrophenyl)tetrazol-5-yl]-N-methylethanamine (PubChem CID 103086024) has the molecular formula C10H11ClN6O2 and a molecular weight of 282.69 g/mol. Its IUPAC name is 1-[1-(2-chloro-5-nitrophenyl)tetrazol-5-yl]-N-methylethanamine.

Molecular Properties

Compound Name1-[1-(2-chloro-5-nitrophenyl)tetrazol-5-yl]-N-methylethanamine
PubChem CID103086024
Molecular FormulaC10H11ClN6O2
Molecular Weight282.69 g/mol
Exact Mass282.06
IUPAC Name1-[1-(2-chloro-5-nitrophenyl)tetrazol-5-yl]-N-methylethanamine
SMILESCNC(C)c1nnnn1-c1cc([N+](=O)[O-])ccc1Cl
InChIInChI=1S/C10H11ClN6O2/c1-6(12-2)10-13-14-15-16(10)9-5-7(17(18)19)3-4-8(9)11/h3-6,12H,1-2H3
InChIKeyFUILRXBBQKINMY-UHFFFAOYSA-N
XLogP1.50
TPSA98.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.69
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

1-[1-(2,5-dimethyl-4-nitrophenyl)tetrazol-5-yl]-N-methylethanamine
CID 103145735
N-[[1-(2-chloro-5-nitrophenyl)tetrazol-5-yl]methyl]ethanamine
CID 62762606
1-[1-(4-chloro-2,5-dimethoxyphenyl)tetrazol-5-yl]-N-methylethanamine
CID 103084830
N-[1-[1-(4-nitrophenyl)tetrazol-5-yl]ethyl]propan-1-amine
CID 103085127
N-methyl-1-[1-(2-methylphenyl)tetrazol-5-yl]ethanamine
CID 103084956
5-(1-chloroethyl)-1-(3-nitrophenyl)tetrazole
CID 103084320
1-[1-(5-fluoro-2-methylphenyl)tetrazol-5-yl]-N-methylethanamine
CID 103084941
N-[[1-(2-chloro-5-nitrophenyl)triazol-4-yl]methyl]-2-methylpropan-1-amine
CID 66204275
1-[1-(4-chloro-3-nitrophenyl)tetrazol-5-yl]ethanamine
CID 82227925
N-[[1-(2-chloro-5-nitrophenyl)triazol-4-yl]methyl]-2-methylpropan-2-amine
CID 66204273
1-[1-(3,5-dimethoxyphenyl)tetrazol-5-yl]-N-methylethanamine
CID 103085062
2-(2-chloro-5-nitrophenyl)-4-methylphthalazin-1-one
CID 22295506

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-chloro-5-nitrophenyl)tetrazol-5-yl]-N-methylethanamine?
The IUPAC name of 1-[1-(2-chloro-5-nitrophenyl)tetrazol-5-yl]-N-methylethanamine (CID 103086024) is 1-[1-(2-chloro-5-nitrophenyl)tetrazol-5-yl]-N-methylethanamine.
What is the SMILES notation for 1-[1-(2-chloro-5-nitrophenyl)tetrazol-5-yl]-N-methylethanamine?
The canonical SMILES for 1-[1-(2-chloro-5-nitrophenyl)tetrazol-5-yl]-N-methylethanamine is CNC(C)c1nnnn1-c1cc([N+](=O)[O-])ccc1Cl.
What is the InChIKey of 1-[1-(2-chloro-5-nitrophenyl)tetrazol-5-yl]-N-methylethanamine?
The InChIKey is FUILRXBBQKINMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN6O2/c1-6(12-2)10-13-14-15-16(10)9-5-7(17(18)19)3-4-8(9)11/h3-6,12H,1-2H3.
What are the key properties of 1-[1-(2-chloro-5-nitrophenyl)tetrazol-5-yl]-N-methylethanamine?
1-[1-(2-chloro-5-nitrophenyl)tetrazol-5-yl]-N-methylethanamine has a molecular weight of 282.69 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-chloro-5-nitrophenyl)tetrazol-5-yl]-N-methylethanamine is sourced from PubChem (CID 103086024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).