6-[(1-methyl-1,2,4-triazol-3-yl)oxy]-5-nitro-N-propylpyridin-2-amine

C11H14N6O3 — CID 106598821

IUPAC6-[(1-methyl-1,2,4-triazol-3-yl)oxy]-5-nitro-N-propylpyridin-2-amine
SMILESCCCNc1ccc([N+](=O)[O-])c(Oc2ncn(C)n2)n1
InChIInChI=1S/C11H14N6O3/c1-3-6-12-9-5-4-8(17(18)19)10(14-9)20-11-13-7-16(2)15-11/h4-5,7H,3,6H2,1-2H3,(H,12,14)
InChIKeyNSVTWMUTKWIADM-UHFFFAOYSA-N
MW278.27 g/mol
LogP1.73
Rot. Bonds6

About 6-[(1-methyl-1,2,4-triazol-3-yl)oxy]-5-nitro-N-propylpyridin-2-amine

6-[(1-methyl-1,2,4-triazol-3-yl)oxy]-5-nitro-N-propylpyridin-2-amine (PubChem CID 106598821) has the molecular formula C11H14N6O3 and a molecular weight of 278.27 g/mol. Its IUPAC name is 6-[(1-methyl-1,2,4-triazol-3-yl)oxy]-5-nitro-N-propylpyridin-2-amine.

Molecular Properties

Compound Name6-[(1-methyl-1,2,4-triazol-3-yl)oxy]-5-nitro-N-propylpyridin-2-amine
PubChem CID106598821
Molecular FormulaC11H14N6O3
Molecular Weight278.27 g/mol
Exact Mass278.11
IUPAC Name6-[(1-methyl-1,2,4-triazol-3-yl)oxy]-5-nitro-N-propylpyridin-2-amine
SMILESCCCNc1ccc([N+](=O)[O-])c(Oc2ncn(C)n2)n1
InChIInChI=1S/C11H14N6O3/c1-3-6-12-9-5-4-8(17(18)19)10(14-9)20-11-13-7-16(2)15-11/h4-5,7H,3,6H2,1-2H3,(H,12,14)
InChIKeyNSVTWMUTKWIADM-UHFFFAOYSA-N
XLogP1.73
TPSA108.00 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.27
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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-[(1-methyl-1,2,4-triazol-3-yl)oxy]-5-nitro-N-propylpyrimidin-4-amine
CID 106598671
5-nitro-6-phenylmethoxy-N-propylpyridin-2-amine
CID 80845026
2-N-(1-methylpyrazol-3-yl)-3-nitro-6-N-propylpyridine-2,6-diamine
CID 80849234
6-(4-methylcyclohexyl)oxy-5-nitro-N-propylpyridin-2-amine
CID 80844603
4-[(1-methyl-1,2,4-triazol-3-yl)oxy]-N-propylquinazolin-2-amine
CID 106598677
6-[2-[cyclopropyl(methyl)amino]ethoxy]-5-nitro-N-propylpyridin-2-amine
CID 102741257
6-butyl-5-nitro-N-propylpyridin-2-amine
CID 106659336
N-ethyl-6-(2-methylphenoxy)-5-nitropyridin-2-amine
CID 80869251
2-N-ethyl-3-nitro-2-N-propan-2-yl-6-N-propylpyridine-2,6-diamine
CID 80775846
2-N-(4-methylpiperazin-1-yl)-3-nitro-6-N-propylpyridine-2,6-diamine
CID 83034182
N'-(6-methoxy-5-nitro-2-pyridinyl)ethane-1,2-diamine
CID 69485063
6-(2,3-difluorophenoxy)-N-ethyl-5-nitropyridin-2-amine
CID 80880817

Frequently Asked Questions

What is the IUPAC name of 6-[(1-methyl-1,2,4-triazol-3-yl)oxy]-5-nitro-N-propylpyridin-2-amine?
The IUPAC name of 6-[(1-methyl-1,2,4-triazol-3-yl)oxy]-5-nitro-N-propylpyridin-2-amine (CID 106598821) is 6-[(1-methyl-1,2,4-triazol-3-yl)oxy]-5-nitro-N-propylpyridin-2-amine.
What is the SMILES notation for 6-[(1-methyl-1,2,4-triazol-3-yl)oxy]-5-nitro-N-propylpyridin-2-amine?
The canonical SMILES for 6-[(1-methyl-1,2,4-triazol-3-yl)oxy]-5-nitro-N-propylpyridin-2-amine is CCCNc1ccc([N+](=O)[O-])c(Oc2ncn(C)n2)n1.
What is the InChIKey of 6-[(1-methyl-1,2,4-triazol-3-yl)oxy]-5-nitro-N-propylpyridin-2-amine?
The InChIKey is NSVTWMUTKWIADM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N6O3/c1-3-6-12-9-5-4-8(17(18)19)10(14-9)20-11-13-7-16(2)15-11/h4-5,7H,3,6H2,1-2H3,(H,12,14).
What are the key properties of 6-[(1-methyl-1,2,4-triazol-3-yl)oxy]-5-nitro-N-propylpyridin-2-amine?
6-[(1-methyl-1,2,4-triazol-3-yl)oxy]-5-nitro-N-propylpyridin-2-amine has a molecular weight of 278.27 g/mol, XLogP of 1.73, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1-methyl-1,2,4-triazol-3-yl)oxy]-5-nitro-N-propylpyridin-2-amine is sourced from PubChem (CID 106598821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).