3-nitro-2-N-(1-propan-2-yloxypropyl)pyridine-2,4,6-triamine

C11H19N5O3 — CID 70627639

IUPAC3-nitro-2-N-(1-propan-2-yloxypropyl)pyridine-2,4,6-triamine
SMILESCCC(Nc1nc(N)cc(N)c1[N+](=O)[O-])OC(C)C
InChIInChI=1S/C11H19N5O3/c1-4-9(19-6(2)3)15-11-10(16(17)18)7(12)5-8(13)14-11/h5-6,9H,4H2,1-3H3,(H5,12,13,14,15)
InChIKeyNSDLXSMRISTIQU-UHFFFAOYSA-N
MW269.31 g/mol
LogP1.73
Rot. Bonds6

About 3-nitro-2-N-(1-propan-2-yloxypropyl)pyridine-2,4,6-triamine

3-nitro-2-N-(1-propan-2-yloxypropyl)pyridine-2,4,6-triamine (PubChem CID 70627639) has the molecular formula C11H19N5O3 and a molecular weight of 269.31 g/mol. Its IUPAC name is 3-nitro-2-N-(1-propan-2-yloxypropyl)pyridine-2,4,6-triamine.

Molecular Properties

Compound Name3-nitro-2-N-(1-propan-2-yloxypropyl)pyridine-2,4,6-triamine
PubChem CID70627639
Molecular FormulaC11H19N5O3
Molecular Weight269.31 g/mol
Exact Mass269.15
IUPAC Name3-nitro-2-N-(1-propan-2-yloxypropyl)pyridine-2,4,6-triamine
SMILESCCC(Nc1nc(N)cc(N)c1[N+](=O)[O-])OC(C)C
InChIInChI=1S/C11H19N5O3/c1-4-9(19-6(2)3)15-11-10(16(17)18)7(12)5-8(13)14-11/h5-6,9H,4H2,1-3H3,(H5,12,13,14,15)
InChIKeyNSDLXSMRISTIQU-UHFFFAOYSA-N
XLogP1.73
TPSA129.33 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

ethyl N-[4-amino-5-nitro-6-[[(2R)-1-oxo-1-phenylpropan-2-yl]amino]-2-pyridinyl]carbamate
CID 58732603
2-N-(3-ethylpentan-2-yl)-3-nitropyridine-2,6-diamine
CID 80839068
4-N-(1-methoxypropan-2-yl)-6-methyl-5-nitropyrimidine-2,4-diamine
CID 114044198
ethyl 6-amino-4-(difluoromethyl)-3-nitropyridine-2-carboxylate
CID 134670512
6-chloro-2-N-(4-methoxyphenyl)-3-nitropyridine-2,4-diamine
CID 2846942
3-nitro-4-(3-propan-2-yloxy-1H-pyrazol-5-yl)pyridine-2,6-diamine
CID 67454229
6-N-ethyl-2-methylsulfanyl-5-nitro-4-N-pentan-3-ylpyrimidine-4,6-diamine
CID 21400900
N-butan-2-yl-6-ethoxy-5-nitro-2-propan-2-ylpyrimidin-4-amine
CID 82454873
2-[[2-(ethylamino)-6-methyl-5-nitropyrimidin-4-yl]amino]-3-methylbutanamide
CID 106347443
6-ethoxy-2-methyl-5-nitro-N-propan-2-ylpyrimidin-4-amine
CID 82454800
4-(bromomethyl)-6-(difluoromethyl)-5-nitropyridin-2-amine
CID 130106809
2-N-[1-(4-methoxyphenyl)ethyl]-3-nitropyridine-2,6-diamine
CID 80832173

Frequently Asked Questions

What is the IUPAC name of 3-nitro-2-N-(1-propan-2-yloxypropyl)pyridine-2,4,6-triamine?
The IUPAC name of 3-nitro-2-N-(1-propan-2-yloxypropyl)pyridine-2,4,6-triamine (CID 70627639) is 3-nitro-2-N-(1-propan-2-yloxypropyl)pyridine-2,4,6-triamine.
What is the SMILES notation for 3-nitro-2-N-(1-propan-2-yloxypropyl)pyridine-2,4,6-triamine?
The canonical SMILES for 3-nitro-2-N-(1-propan-2-yloxypropyl)pyridine-2,4,6-triamine is CCC(Nc1nc(N)cc(N)c1[N+](=O)[O-])OC(C)C.
What is the InChIKey of 3-nitro-2-N-(1-propan-2-yloxypropyl)pyridine-2,4,6-triamine?
The InChIKey is NSDLXSMRISTIQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O3/c1-4-9(19-6(2)3)15-11-10(16(17)18)7(12)5-8(13)14-11/h5-6,9H,4H2,1-3H3,(H5,12,13,14,15).
What are the key properties of 3-nitro-2-N-(1-propan-2-yloxypropyl)pyridine-2,4,6-triamine?
3-nitro-2-N-(1-propan-2-yloxypropyl)pyridine-2,4,6-triamine has a molecular weight of 269.31 g/mol, XLogP of 1.73, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitro-2-N-(1-propan-2-yloxypropyl)pyridine-2,4,6-triamine is sourced from PubChem (CID 70627639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).