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

C14H18N6O3 — CID 97226345

IUPAC(8R)-2-(methoxymethyl)-N-(5-methyl-3-nitro-2-pyridinyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine
SMILESCOCc1nc2n(n1)CCC[C@H]2Nc1ncc(C)cc1[N+](=O)[O-]
InChIInChI=1S/C14H18N6O3/c1-9-6-11(20(21)22)13(15-7-9)16-10-4-3-5-19-14(10)17-12(18-19)8-23-2/h6-7,10H,3-5,8H2,1-2H3,(H,15,16)/t10-/m1/s1
InChIKeyYRYLBMBGASXWBQ-SNVBAGLBSA-N
MW318.34 g/mol
LogP1.98
Rot. Bonds5

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

(8R)-2-(methoxymethyl)-N-(5-methyl-3-nitro-2-pyridinyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine (PubChem CID 97226345) has the molecular formula C14H18N6O3 and a molecular weight of 318.34 g/mol. Its IUPAC name is (8R)-2-(methoxymethyl)-N-(5-methyl-3-nitro-2-pyridinyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine.

Molecular Properties

Compound Name(8R)-2-(methoxymethyl)-N-(5-methyl-3-nitro-2-pyridinyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine
PubChem CID97226345
Molecular FormulaC14H18N6O3
Molecular Weight318.34 g/mol
Exact Mass318.14
IUPAC Name(8R)-2-(methoxymethyl)-N-(5-methyl-3-nitro-2-pyridinyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine
SMILESCOCc1nc2n(n1)CCC[C@H]2Nc1ncc(C)cc1[N+](=O)[O-]
InChIInChI=1S/C14H18N6O3/c1-9-6-11(20(21)22)13(15-7-9)16-10-4-3-5-19-14(10)17-12(18-19)8-23-2/h6-7,10H,3-5,8H2,1-2H3,(H,15,16)/t10-/m1/s1
InChIKeyYRYLBMBGASXWBQ-SNVBAGLBSA-N
XLogP1.98
TPSA108.00 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.34
LogP ≤ 51.98
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'}

Analyze (8R)-2-(methoxymethyl)-N-(5-methyl-3-nitro-2-pyridinyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(methoxymethyl)-N-(3-nitro-2-pyridinyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine
CID 133364845
N-cyclopropyl-5-methyl-3-nitropyridin-2-amine
CID 46738807
6-[[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]amino]pyridine-3-carbonitrile
CID 71918720
1-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3-[(3-methylthiophen-2-yl)methyl]urea
CID 71969595
5-methyl-3-nitro-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyridin-2-amine
CID 66278515
(8S)-N-[(3-chloro-4-methylphenyl)methyl]-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine
CID 124628702
N-[6-(4-fluorophenyl)pyridazin-3-yl]-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine
CID 133364902
(2R,5S)-N-[(8S)-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-2,5-dimethylmorpholine-4-sulfonamide
CID 129326756
(8S)-N-(2-adamantyl)-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine
CID 97233340
3-ethoxy-N-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-1H-pyrazole-5-carboxamide
CID 138034752
1-(2,3-dihydro-1H-inden-5-yl)-3-[(8R)-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]urea
CID 97063175
(8S)-N-[(1S,3R)-3-ethylcyclopentyl]-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine
CID 124856463

Frequently Asked Questions

What is the IUPAC name of (8R)-2-(methoxymethyl)-N-(5-methyl-3-nitro-2-pyridinyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine?
The IUPAC name of (8R)-2-(methoxymethyl)-N-(5-methyl-3-nitro-2-pyridinyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine (CID 97226345) is (8R)-2-(methoxymethyl)-N-(5-methyl-3-nitro-2-pyridinyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine.
What is the SMILES notation for (8R)-2-(methoxymethyl)-N-(5-methyl-3-nitro-2-pyridinyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine?
The canonical SMILES for (8R)-2-(methoxymethyl)-N-(5-methyl-3-nitro-2-pyridinyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine is COCc1nc2n(n1)CCC[C@H]2Nc1ncc(C)cc1[N+](=O)[O-].
What is the InChIKey of (8R)-2-(methoxymethyl)-N-(5-methyl-3-nitro-2-pyridinyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine?
The InChIKey is YRYLBMBGASXWBQ-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H18N6O3/c1-9-6-11(20(21)22)13(15-7-9)16-10-4-3-5-19-14(10)17-12(18-19)8-23-2/h6-7,10H,3-5,8H2,1-2H3,(H,15,16)/t10-/m1/s1.
What are the key properties of (8R)-2-(methoxymethyl)-N-(5-methyl-3-nitro-2-pyridinyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine?
(8R)-2-(methoxymethyl)-N-(5-methyl-3-nitro-2-pyridinyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine has a molecular weight of 318.34 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (8R)-2-(methoxymethyl)-N-(5-methyl-3-nitro-2-pyridinyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine is sourced from PubChem (CID 97226345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).