3-methyl-5-nitro-N-[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyridin-2-amine

C14H18N6O2 — CID 133443794

IUPAC3-methyl-5-nitro-N-[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyridin-2-amine
SMILESCc1cc([N+](=O)[O-])cnc1NC(C)c1nnc2n1CCCC2
InChIInChI=1S/C14H18N6O2/c1-9-7-11(20(21)22)8-15-13(9)16-10(2)14-18-17-12-5-3-4-6-19(12)14/h7-8,10H,3-6H2,1-2H3,(H,15,16)
InChIKeyUEIKIQSDYXBTDW-UHFFFAOYSA-N
MW302.34 g/mol
LogP2.40
Rot. Bonds4

About 3-methyl-5-nitro-N-[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyridin-2-amine

3-methyl-5-nitro-N-[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyridin-2-amine (PubChem CID 133443794) has the molecular formula C14H18N6O2 and a molecular weight of 302.34 g/mol. Its IUPAC name is 3-methyl-5-nitro-N-[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyridin-2-amine.

Molecular Properties

Compound Name3-methyl-5-nitro-N-[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyridin-2-amine
PubChem CID133443794
Molecular FormulaC14H18N6O2
Molecular Weight302.34 g/mol
Exact Mass302.15
IUPAC Name3-methyl-5-nitro-N-[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyridin-2-amine
SMILESCc1cc([N+](=O)[O-])cnc1NC(C)c1nnc2n1CCCC2
InChIInChI=1S/C14H18N6O2/c1-9-7-11(20(21)22)8-15-13(9)16-10(2)14-18-17-12-5-3-4-6-19(12)14/h7-8,10H,3-6H2,1-2H3,(H,15,16)
InChIKeyUEIKIQSDYXBTDW-UHFFFAOYSA-N
XLogP2.40
TPSA98.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 52.40
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

2-[[(1R)-1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]amino]-5-nitrobenzonitrile
CID 97260629
3-methyl-N-[1-(4-methylphenyl)ethyl]-5-nitropyridin-2-amine
CID 62477233
3-methyl-5-nitro-N-(1-pyridin-4-ylethyl)pyridin-2-amine
CID 62477893
3-methyl-5-nitro-N-piperidin-1-ylpyridin-2-amine
CID 83025553
2-nitro-N-[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-4-(trifluoromethylsulfonyl)aniline
CID 133374598
3-methylsulfonyl-2-nitro-N-[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]aniline
CID 133414465
3-methyl-N-[1-(5-methylfuran-2-yl)ethyl]-5-nitropyridin-2-amine
CID 62477045
[3-nitro-4-[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylamino]phenyl]-phenylmethanone
CID 133374521
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-methyl-5-nitropyridin-2-amine
CID 62475344
1-cyclopentyl-N-(3-methyl-5-nitro-2-pyridinyl)ethane-1,2-diamine
CID 106738165
3-methyl-N-[[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl]-5-nitropyridin-2-amine
CID 133417515
N-hexan-3-yl-3-methyl-5-nitropyridin-2-amine
CID 62476877

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-nitro-N-[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyridin-2-amine?
The IUPAC name of 3-methyl-5-nitro-N-[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyridin-2-amine (CID 133443794) is 3-methyl-5-nitro-N-[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyridin-2-amine.
What is the SMILES notation for 3-methyl-5-nitro-N-[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyridin-2-amine?
The canonical SMILES for 3-methyl-5-nitro-N-[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyridin-2-amine is Cc1cc([N+](=O)[O-])cnc1NC(C)c1nnc2n1CCCC2.
What is the InChIKey of 3-methyl-5-nitro-N-[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyridin-2-amine?
The InChIKey is UEIKIQSDYXBTDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6O2/c1-9-7-11(20(21)22)8-15-13(9)16-10(2)14-18-17-12-5-3-4-6-19(12)14/h7-8,10H,3-6H2,1-2H3,(H,15,16).
What are the key properties of 3-methyl-5-nitro-N-[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyridin-2-amine?
3-methyl-5-nitro-N-[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyridin-2-amine has a molecular weight of 302.34 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-nitro-N-[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyridin-2-amine is sourced from PubChem (CID 133443794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).