N-methyl-7-(2-nitrophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine

C12H10N6O2 — CID 103318266

IUPACN-methyl-7-(2-nitrophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
SMILESCNc1nc2nccc(-c3ccccc3[N+](=O)[O-])n2n1
InChIInChI=1S/C12H10N6O2/c1-13-11-15-12-14-7-6-9(17(12)16-11)8-4-2-3-5-10(8)18(19)20/h2-7H,1H3,(H,13,16)
InChIKeyDZHMRISACNAQIF-UHFFFAOYSA-N
MW270.25 g/mol
LogP1.74
Rot. Bonds3

About N-methyl-7-(2-nitrophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine

N-methyl-7-(2-nitrophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine (PubChem CID 103318266) has the molecular formula C12H10N6O2 and a molecular weight of 270.25 g/mol. Its IUPAC name is N-methyl-7-(2-nitrophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine.

Molecular Properties

Compound NameN-methyl-7-(2-nitrophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
PubChem CID103318266
Molecular FormulaC12H10N6O2
Molecular Weight270.25 g/mol
Exact Mass270.09
IUPAC NameN-methyl-7-(2-nitrophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
SMILESCNc1nc2nccc(-c3ccccc3[N+](=O)[O-])n2n1
InChIInChI=1S/C12H10N6O2/c1-13-11-15-12-14-7-6-9(17(12)16-11)8-4-2-3-5-10(8)18(19)20/h2-7H,1H3,(H,13,16)
InChIKeyDZHMRISACNAQIF-UHFFFAOYSA-N
XLogP1.74
TPSA98.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.25
LogP ≤ 51.74
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-methyl-5-(2-nitrophenyl)imidazo[1,2-a]pyrimidine
CID 103282407
N-methyl-2-(2-nitrophenyl)pyrimidin-4-amine
CID 62191141
5-(2-nitrophenyl)imidazo[1,2-a]pyrimidine-2-carboxylic acid
CID 103200812
5-(2-nitrophenyl)-1-propan-2-ylpyrazole
CID 22493341
N-methyl-1-[2-(2-nitrophenyl)pyrimidin-4-yl]methanamine
CID 55109588
N-methyl-3-nitropyridin-2-amine
CID 556349
N-[[2-(2-nitrophenyl)pyrimidin-4-yl]methyl]ethanamine
CID 62748621
[4-(2-nitrophenyl)pyrimidin-2-yl]carbamic acid
CID 139503337
ethane;2-(2-nitrophenyl)-1,3-oxazole
CID 91192753
N-methyl-3-nitropyridin-2-amine;2-phenylbenzoic acid
CID 173279062
6-ethyl-N-methyl-2-(2-nitrophenyl)pyrimidin-4-amine
CID 62190748
N,6-dimethyl-2-(2-nitrophenyl)pyrimidin-4-amine
CID 62190534

Frequently Asked Questions

What is the IUPAC name of N-methyl-7-(2-nitrophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?
The IUPAC name of N-methyl-7-(2-nitrophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine (CID 103318266) is N-methyl-7-(2-nitrophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine.
What is the SMILES notation for N-methyl-7-(2-nitrophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?
The canonical SMILES for N-methyl-7-(2-nitrophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine is CNc1nc2nccc(-c3ccccc3[N+](=O)[O-])n2n1.
What is the InChIKey of N-methyl-7-(2-nitrophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?
The InChIKey is DZHMRISACNAQIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N6O2/c1-13-11-15-12-14-7-6-9(17(12)16-11)8-4-2-3-5-10(8)18(19)20/h2-7H,1H3,(H,13,16).
What are the key properties of N-methyl-7-(2-nitrophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?
N-methyl-7-(2-nitrophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine has a molecular weight of 270.25 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-7-(2-nitrophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine is sourced from PubChem (CID 103318266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).