4-methyl-3-nitro-N-[3-(1,2,4-triazol-1-yl)propyl]pyridin-2-amine

C11H14N6O2 — CID 127265038

IUPAC4-methyl-3-nitro-N-[3-(1,2,4-triazol-1-yl)propyl]pyridin-2-amine
SMILESCc1ccnc(NCCCn2cncn2)c1[N+](=O)[O-]
InChIInChI=1S/C11H14N6O2/c1-9-3-5-14-11(10(9)17(18)19)13-4-2-6-16-8-12-7-15-16/h3,5,7-8H,2,4,6H2,1H3,(H,13,14)
InChIKeyATOWOMMEXBFVDA-UHFFFAOYSA-N
MW262.27 g/mol
LogP1.39
Rot. Bonds6

About 4-methyl-3-nitro-N-[3-(1,2,4-triazol-1-yl)propyl]pyridin-2-amine

4-methyl-3-nitro-N-[3-(1,2,4-triazol-1-yl)propyl]pyridin-2-amine (PubChem CID 127265038) has the molecular formula C11H14N6O2 and a molecular weight of 262.27 g/mol. Its IUPAC name is 4-methyl-3-nitro-N-[3-(1,2,4-triazol-1-yl)propyl]pyridin-2-amine.

Molecular Properties

Compound Name4-methyl-3-nitro-N-[3-(1,2,4-triazol-1-yl)propyl]pyridin-2-amine
PubChem CID127265038
Molecular FormulaC11H14N6O2
Molecular Weight262.27 g/mol
Exact Mass262.12
IUPAC Name4-methyl-3-nitro-N-[3-(1,2,4-triazol-1-yl)propyl]pyridin-2-amine
SMILESCc1ccnc(NCCCn2cncn2)c1[N+](=O)[O-]
InChIInChI=1S/C11H14N6O2/c1-9-3-5-14-11(10(9)17(18)19)13-4-2-6-16-8-12-7-15-16/h3,5,7-8H,2,4,6H2,1H3,(H,13,14)
InChIKeyATOWOMMEXBFVDA-UHFFFAOYSA-N
XLogP1.39
TPSA98.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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

Panidazole
CID 72080
2-Benzylamino-5-nitropyridine
CID 261542
2-(3,5-Dimethyl-1H-pyrazol-1-yl)-3-nitropyridine
CID 2740944
4-N-(3-methylpyridin-2-yl)-5-nitropyrimidine-4,6-diamine
CID 4231448
3-nitro-N-(2-phenylethyl)-2-Pyridinamine
CID 3739008
N-[2-(1H-imidazol-5-yl)ethyl]-5-nitropyridin-2-amine
CID 10036954
2-{[3-(1H-Imidazol-4-yl)propyl]amino}-5-nitropyridine
CID 10037607
[2-(1H-Imidazol-4-yl)-ethyl]-(3-nitro-pyridin-2-yl)-amine
CID 11776145
(R)-(+)-2-(alpha-Methylbenzylamino)-5-nitropyridine
CID 11368515
N-(4-methylpyridin-2-yl)-2-(4-nitro-1H-pyrazol-1-yl)acetamide
CID 1504355
5-nitro-N-2-pyridinyl-4,6-pyrimidinediamine
CID 2960581
(2E)-1-[(5-azidopyridin-3-yl)methyl]-N-nitro-1,3-dihydro-2H-imidazol-2-imine
CID 11832145

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-nitro-N-[3-(1,2,4-triazol-1-yl)propyl]pyridin-2-amine?
The IUPAC name of 4-methyl-3-nitro-N-[3-(1,2,4-triazol-1-yl)propyl]pyridin-2-amine (CID 127265038) is 4-methyl-3-nitro-N-[3-(1,2,4-triazol-1-yl)propyl]pyridin-2-amine.
What is the SMILES notation for 4-methyl-3-nitro-N-[3-(1,2,4-triazol-1-yl)propyl]pyridin-2-amine?
The canonical SMILES for 4-methyl-3-nitro-N-[3-(1,2,4-triazol-1-yl)propyl]pyridin-2-amine is Cc1ccnc(NCCCn2cncn2)c1[N+](=O)[O-].
What is the InChIKey of 4-methyl-3-nitro-N-[3-(1,2,4-triazol-1-yl)propyl]pyridin-2-amine?
The InChIKey is ATOWOMMEXBFVDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N6O2/c1-9-3-5-14-11(10(9)17(18)19)13-4-2-6-16-8-12-7-15-16/h3,5,7-8H,2,4,6H2,1H3,(H,13,14).
What are the key properties of 4-methyl-3-nitro-N-[3-(1,2,4-triazol-1-yl)propyl]pyridin-2-amine?
4-methyl-3-nitro-N-[3-(1,2,4-triazol-1-yl)propyl]pyridin-2-amine has a molecular weight of 262.27 g/mol, XLogP of 1.39, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-nitro-N-[3-(1,2,4-triazol-1-yl)propyl]pyridin-2-amine is sourced from PubChem (CID 127265038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).