6-methyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-3-nitropyridin-2-amine

C11H14N6O2 — CID 81138577

IUPAC6-methyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-3-nitropyridin-2-amine
SMILESCc1ccc([N+](=O)[O-])c(NCCc2ncn(C)n2)n1
InChIInChI=1S/C11H14N6O2/c1-8-3-4-9(17(18)19)11(14-8)12-6-5-10-13-7-16(2)15-10/h3-4,7H,5-6H2,1-2H3,(H,12,14)
InChIKeyGETZWBYGZQYKEN-UHFFFAOYSA-N
MW262.27 g/mol
LogP1.08
Rot. Bonds5

About 6-methyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-3-nitropyridin-2-amine

6-methyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-3-nitropyridin-2-amine (PubChem CID 81138577) has the molecular formula C11H14N6O2 and a molecular weight of 262.27 g/mol. Its IUPAC name is 6-methyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-3-nitropyridin-2-amine.

Molecular Properties

Compound Name6-methyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-3-nitropyridin-2-amine
PubChem CID81138577
Molecular FormulaC11H14N6O2
Molecular Weight262.27 g/mol
Exact Mass262.12
IUPAC Name6-methyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-3-nitropyridin-2-amine
SMILESCc1ccc([N+](=O)[O-])c(NCCc2ncn(C)n2)n1
InChIInChI=1S/C11H14N6O2/c1-8-3-4-9(17(18)19)11(14-8)12-6-5-10-13-7-16(2)15-10/h3-4,7H,5-6H2,1-2H3,(H,12,14)
InChIKeyGETZWBYGZQYKEN-UHFFFAOYSA-N
XLogP1.08
TPSA98.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 51.08
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

6-N-methyl-2-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-3-nitropyridine-2,6-diamine
CID 80853815
N-[2-(3,5-difluorophenyl)ethyl]-6-methyl-3-nitropyridin-2-amine
CID 81139764
N-(2-imidazol-1-ylethyl)-6-methyl-3-nitropyridin-2-amine
CID 81138480
N-[2-(3-fluorophenyl)ethyl]-6-methyl-3-nitropyridin-2-amine
CID 81138476
5-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]-2-nitrobenzoic acid
CID 80685846
4,5-dichloro-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-2-nitroaniline
CID 80688696
6-methyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyridazin-3-amine
CID 80689016
4-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]-2-nitrobenzonitrile
CID 80683190
6-[(6-methyl-3-nitro-2-pyridinyl)amino]hexan-1-ol
CID 103918195
6-methyl-3-nitro-N-(3-pyrazol-1-ylpropyl)pyridin-2-amine
CID 115714662
6-methyl-N-[(1-methylimidazol-2-yl)methyl]-3-nitropyridin-2-amine
CID 81138648
6-methyl-N-(2-methylpropyl)-3-nitropyridin-2-amine
CID 81138941

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-3-nitropyridin-2-amine?
The IUPAC name of 6-methyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-3-nitropyridin-2-amine (CID 81138577) is 6-methyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-3-nitropyridin-2-amine.
What is the SMILES notation for 6-methyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-3-nitropyridin-2-amine?
The canonical SMILES for 6-methyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-3-nitropyridin-2-amine is Cc1ccc([N+](=O)[O-])c(NCCc2ncn(C)n2)n1.
What is the InChIKey of 6-methyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-3-nitropyridin-2-amine?
The InChIKey is GETZWBYGZQYKEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N6O2/c1-8-3-4-9(17(18)19)11(14-8)12-6-5-10-13-7-16(2)15-10/h3-4,7H,5-6H2,1-2H3,(H,12,14).
What are the key properties of 6-methyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-3-nitropyridin-2-amine?
6-methyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-3-nitropyridin-2-amine has a molecular weight of 262.27 g/mol, XLogP of 1.08, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-3-nitropyridin-2-amine is sourced from PubChem (CID 81138577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).