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

C15H19N5O3 — CID 97223951

IUPAC(6R)-2-(methoxymethyl)-N-(3-methyl-4-nitrophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
SMILESCOCc1nc2n(n1)C[C@H](Nc1ccc([N+](=O)[O-])c(C)c1)CC2
InChIInChI=1S/C15H19N5O3/c1-10-7-11(3-5-13(10)20(21)22)16-12-4-6-15-17-14(9-23-2)18-19(15)8-12/h3,5,7,12,16H,4,6,8-9H2,1-2H3/t12-/m1/s1
InChIKeyDPGDXCKEBUFJMJ-GFCCVEGCSA-N
MW317.35 g/mol
LogP2.07
Rot. Bonds5

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

(6R)-2-(methoxymethyl)-N-(3-methyl-4-nitrophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine (PubChem CID 97223951) has the molecular formula C15H19N5O3 and a molecular weight of 317.35 g/mol. Its IUPAC name is (6R)-2-(methoxymethyl)-N-(3-methyl-4-nitrophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine.

Molecular Properties

Compound Name(6R)-2-(methoxymethyl)-N-(3-methyl-4-nitrophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
PubChem CID97223951
Molecular FormulaC15H19N5O3
Molecular Weight317.35 g/mol
Exact Mass317.15
IUPAC Name(6R)-2-(methoxymethyl)-N-(3-methyl-4-nitrophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
SMILESCOCc1nc2n(n1)C[C@H](Nc1ccc([N+](=O)[O-])c(C)c1)CC2
InChIInChI=1S/C15H19N5O3/c1-10-7-11(3-5-13(10)20(21)22)16-12-4-6-15-17-14(9-23-2)18-19(15)8-12/h3,5,7,12,16H,4,6,8-9H2,1-2H3/t12-/m1/s1
InChIKeyDPGDXCKEBUFJMJ-GFCCVEGCSA-N
XLogP2.07
TPSA95.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 52.07
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

[3-[(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]-4-nitrophenyl]methanol
CID 133437592
N-(4-bromo-2-nitrophenyl)-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 133281746
1-methyl-N-(3-methyl-4-nitrophenyl)piperidin-3-amine
CID 61211811
N-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-8-methylquinolin-4-amine
CID 133369039
6-[[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]pyridine-2-carboxylic acid
CID 122054319
2-(methoxymethyl)-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 126815145
1-cyclopentyl-N-(3-methyl-4-nitrophenyl)pyrrolidin-3-amine
CID 133320329
1-[(3R)-3-(3-methyl-4-nitroanilino)pyrrolidin-1-yl]propan-1-one
CID 125131332
1-[(3S)-3-(3-methyl-4-nitroanilino)pyrrolidin-1-yl]propan-1-one
CID 125131333
4-(3-methyl-4-nitroanilino)cyclohexan-1-ol
CID 43381665
N-(3-ethylcyclopentyl)-3-methyl-4-nitroaniline
CID 64501556
N-[4-(azepan-1-ylsulfonyl)-2-nitrophenyl]-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 133281650

Frequently Asked Questions

What is the IUPAC name of (6R)-2-(methoxymethyl)-N-(3-methyl-4-nitrophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine?
The IUPAC name of (6R)-2-(methoxymethyl)-N-(3-methyl-4-nitrophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine (CID 97223951) is (6R)-2-(methoxymethyl)-N-(3-methyl-4-nitrophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine.
What is the SMILES notation for (6R)-2-(methoxymethyl)-N-(3-methyl-4-nitrophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine?
The canonical SMILES for (6R)-2-(methoxymethyl)-N-(3-methyl-4-nitrophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine is COCc1nc2n(n1)C[C@H](Nc1ccc([N+](=O)[O-])c(C)c1)CC2.
What is the InChIKey of (6R)-2-(methoxymethyl)-N-(3-methyl-4-nitrophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine?
The InChIKey is DPGDXCKEBUFJMJ-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H19N5O3/c1-10-7-11(3-5-13(10)20(21)22)16-12-4-6-15-17-14(9-23-2)18-19(15)8-12/h3,5,7,12,16H,4,6,8-9H2,1-2H3/t12-/m1/s1.
What are the key properties of (6R)-2-(methoxymethyl)-N-(3-methyl-4-nitrophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine?
(6R)-2-(methoxymethyl)-N-(3-methyl-4-nitrophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine has a molecular weight of 317.35 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-2-(methoxymethyl)-N-(3-methyl-4-nitrophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine is sourced from PubChem (CID 97223951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).