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

C10H11ClN6O2 — CID 62762606

IUPACN-[[1-(2-chloro-5-nitrophenyl)tetrazol-5-yl]methyl]ethanamine
SMILESCCNCc1nnnn1-c1cc([N+](=O)[O-])ccc1Cl
InChIInChI=1S/C10H11ClN6O2/c1-2-12-6-10-13-14-15-16(10)9-5-7(17(18)19)3-4-8(9)11/h3-5,12H,2,6H2,1H3
InChIKeyGKAJTEQPFMZGCO-UHFFFAOYSA-N
MW282.69 g/mol
LogP1.33
Rot. Bonds5

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

N-[[1-(2-chloro-5-nitrophenyl)tetrazol-5-yl]methyl]ethanamine (PubChem CID 62762606) has the molecular formula C10H11ClN6O2 and a molecular weight of 282.69 g/mol. Its IUPAC name is N-[[1-(2-chloro-5-nitrophenyl)tetrazol-5-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-(2-chloro-5-nitrophenyl)tetrazol-5-yl]methyl]ethanamine
PubChem CID62762606
Molecular FormulaC10H11ClN6O2
Molecular Weight282.69 g/mol
Exact Mass282.06
IUPAC NameN-[[1-(2-chloro-5-nitrophenyl)tetrazol-5-yl]methyl]ethanamine
SMILESCCNCc1nnnn1-c1cc([N+](=O)[O-])ccc1Cl
InChIInChI=1S/C10H11ClN6O2/c1-2-12-6-10-13-14-15-16(10)9-5-7(17(18)19)3-4-8(9)11/h3-5,12H,2,6H2,1H3
InChIKeyGKAJTEQPFMZGCO-UHFFFAOYSA-N
XLogP1.33
TPSA98.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.69
LogP ≤ 51.33
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

N-[[1-(2-methoxy-4-nitrophenyl)tetrazol-5-yl]methyl]propan-1-amine
CID 62881535
1-[1-(2-chloro-5-nitrophenyl)tetrazol-5-yl]-N-methylethanamine
CID 103086024
N-[[1-(2-methyl-3-nitrophenyl)tetrazol-5-yl]methyl]ethanamine
CID 107811053
1-[1-(2-fluoro-4-nitrophenyl)tetrazol-5-yl]-N-methylmethanamine
CID 62762967
N-[[1-(2-chloro-4-fluorophenyl)tetrazol-5-yl]methyl]ethanamine
CID 55109239
N-[[1-(2-bromo-4-methyl-5-nitrophenyl)tetrazol-5-yl]methyl]ethanamine
CID 104815553
N-[[1-(2-chloro-5-iodophenyl)tetrazol-5-yl]methyl]propan-1-amine
CID 114261278
N-[[1-(2-bromo-5-chlorophenyl)tetrazol-5-yl]methyl]ethanamine
CID 81275457
N-[[1-(4-chloro-2-methoxy-5-methylphenyl)tetrazol-5-yl]methyl]ethanamine
CID 62736292
1-(2-bromo-4-nitrophenyl)-5-(chloromethyl)tetrazole
CID 107810872
N-[[1-(2,4,5-trifluorophenyl)tetrazol-5-yl]methyl]ethanamine
CID 62809896
2-chloro-N-[(1-cyclopropyltetrazol-5-yl)methyl]-5-nitrobenzamide
CID 71869727

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-chloro-5-nitrophenyl)tetrazol-5-yl]methyl]ethanamine?
The IUPAC name of N-[[1-(2-chloro-5-nitrophenyl)tetrazol-5-yl]methyl]ethanamine (CID 62762606) is N-[[1-(2-chloro-5-nitrophenyl)tetrazol-5-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-(2-chloro-5-nitrophenyl)tetrazol-5-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-(2-chloro-5-nitrophenyl)tetrazol-5-yl]methyl]ethanamine is CCNCc1nnnn1-c1cc([N+](=O)[O-])ccc1Cl.
What is the InChIKey of N-[[1-(2-chloro-5-nitrophenyl)tetrazol-5-yl]methyl]ethanamine?
The InChIKey is GKAJTEQPFMZGCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN6O2/c1-2-12-6-10-13-14-15-16(10)9-5-7(17(18)19)3-4-8(9)11/h3-5,12H,2,6H2,1H3.
What are the key properties of N-[[1-(2-chloro-5-nitrophenyl)tetrazol-5-yl]methyl]ethanamine?
N-[[1-(2-chloro-5-nitrophenyl)tetrazol-5-yl]methyl]ethanamine has a molecular weight of 282.69 g/mol, XLogP of 1.33, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-chloro-5-nitrophenyl)tetrazol-5-yl]methyl]ethanamine is sourced from PubChem (CID 62762606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).