N'-(5-nitro-2-pyridinyl)ethane-1,2-diamine;trihydrochloride

C7H13Cl3N4O2 — CID 141018206

IUPACN'-(5-nitro-2-pyridinyl)ethane-1,2-diamine;trihydrochloride
SMILESCl.Cl.Cl.NCCNc1ccc([N+](=O)[O-])cn1
InChIInChI=1S/C7H10N4O2.3ClH/c8-3-4-9-7-2-1-6(5-10-7)11(12)13;;;/h1-2,5H,3-4,8H2,(H,9,10);3*1H
InChIKeyQNSRIKQNGMACRV-UHFFFAOYSA-N
MW291.57 g/mol
LogP1.63
Rot. Bonds4

About N'-(5-nitro-2-pyridinyl)ethane-1,2-diamine;trihydrochloride

N'-(5-nitro-2-pyridinyl)ethane-1,2-diamine;trihydrochloride (PubChem CID 141018206) has the molecular formula C7H13Cl3N4O2 and a molecular weight of 291.57 g/mol. Its IUPAC name is N'-(5-nitro-2-pyridinyl)ethane-1,2-diamine;trihydrochloride.

Molecular Properties

Compound NameN'-(5-nitro-2-pyridinyl)ethane-1,2-diamine;trihydrochloride
PubChem CID141018206
Molecular FormulaC7H13Cl3N4O2
Molecular Weight291.57 g/mol
Exact Mass290.01
IUPAC NameN'-(5-nitro-2-pyridinyl)ethane-1,2-diamine;trihydrochloride
SMILESCl.Cl.Cl.NCCNc1ccc([N+](=O)[O-])cn1
InChIInChI=1S/C7H10N4O2.3ClH/c8-3-4-9-7-2-1-6(5-10-7)11(12)13;;;/h1-2,5H,3-4,8H2,(H,9,10);3*1H
InChIKeyQNSRIKQNGMACRV-UHFFFAOYSA-N
XLogP1.63
TPSA94.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.57
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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'-(5-nitro-2-pyridinyl)ethane-1,2-diamine;hydrochloride
CID 141044426
N'-(5-nitro-2-pyridinyl)ethane-1,2-diamine;pyridin-2-ylmethanamine
CID 67561666
N-(2-aminoethyl)-2-[(5-nitro-2-pyridinyl)amino]acetamide
CID 39161951
2-[(5-nitro-2-pyridinyl)amino]acetic acid
CID 3798682
N-(2,2-dimethylpropyl)-5-nitropyridin-2-amine
CID 59380857
N-cyclopropyl-N'-(5-nitro-2-pyridinyl)ethane-1,2-diamine
CID 62663238
N-methyl-2-[(5-nitro-2-pyridinyl)amino]ethanesulfonamide
CID 102675378
N',N'-diethyl-N-(5-nitro-2-pyridinyl)propane-1,3-diamine
CID 28538897
N-[2-(2-fluorophenoxy)ethyl]-5-nitropyridin-2-amine
CID 16560906
N-[2-(2,4-dichlorophenyl)ethyl]-5-nitropyridin-2-amine
CID 28514790
N'-(6-nitroquinolin-2-yl)ethane-1,2-diamine
CID 43450811
N-[2-(4-aminocyclohexyl)oxyethyl]-5-nitropyridin-2-amine
CID 63870865

Frequently Asked Questions

What is the IUPAC name of N'-(5-nitro-2-pyridinyl)ethane-1,2-diamine;trihydrochloride?
The IUPAC name of N'-(5-nitro-2-pyridinyl)ethane-1,2-diamine;trihydrochloride (CID 141018206) is N'-(5-nitro-2-pyridinyl)ethane-1,2-diamine;trihydrochloride.
What is the SMILES notation for N'-(5-nitro-2-pyridinyl)ethane-1,2-diamine;trihydrochloride?
The canonical SMILES for N'-(5-nitro-2-pyridinyl)ethane-1,2-diamine;trihydrochloride is Cl.Cl.Cl.NCCNc1ccc([N+](=O)[O-])cn1.
What is the InChIKey of N'-(5-nitro-2-pyridinyl)ethane-1,2-diamine;trihydrochloride?
The InChIKey is QNSRIKQNGMACRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O2.3ClH/c8-3-4-9-7-2-1-6(5-10-7)11(12)13;;;/h1-2,5H,3-4,8H2,(H,9,10);3*1H.
What are the key properties of N'-(5-nitro-2-pyridinyl)ethane-1,2-diamine;trihydrochloride?
N'-(5-nitro-2-pyridinyl)ethane-1,2-diamine;trihydrochloride has a molecular weight of 291.57 g/mol, XLogP of 1.63, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-nitro-2-pyridinyl)ethane-1,2-diamine;trihydrochloride is sourced from PubChem (CID 141018206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).