2-methyl-5-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)aniline

C12H11N5 — CID 43628629

IUPAC2-methyl-5-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)aniline
SMILESCc1ccc(-c2nnc3ncccn23)cc1N
InChIInChI=1S/C12H11N5/c1-8-3-4-9(7-10(8)13)11-15-16-12-14-5-2-6-17(11)12/h2-7H,13H2,1H3
InChIKeyWQZCVNWUCTYEAQ-UHFFFAOYSA-N
MW225.25 g/mol
LogP1.68
Rot. Bonds1

About 2-methyl-5-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)aniline

2-methyl-5-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)aniline (PubChem CID 43628629) has the molecular formula C12H11N5 and a molecular weight of 225.25 g/mol. Its IUPAC name is 2-methyl-5-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)aniline.

Molecular Properties

Compound Name2-methyl-5-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)aniline
PubChem CID43628629
Molecular FormulaC12H11N5
Molecular Weight225.25 g/mol
Exact Mass225.10
IUPAC Name2-methyl-5-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)aniline
SMILESCc1ccc(-c2nnc3ncccn23)cc1N
InChIInChI=1S/C12H11N5/c1-8-3-4-9(7-10(8)13)11-15-16-12-14-5-2-6-17(11)12/h2-7H,13H2,1H3
InChIKeyWQZCVNWUCTYEAQ-UHFFFAOYSA-N
XLogP1.68
TPSA69.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-nitro-4-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)aniline
CID 60836051
2-methyl-5-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)aniline
CID 43479051
5-chloro-2-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)aniline
CID 43628645
3,4-dimethyl-5-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)aniline
CID 63021395
4-methyl-5-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)thiophen-2-amine
CID 43628615
2-[3-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)phenyl]ethanamine
CID 63795477
4-fluoro-2-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)aniline
CID 43628656
N-(5-acetyl-2-methylphenyl)-4-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)benzamide
CID 110618449
N-(2,4-dimethylphenyl)-4-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)benzamide
CID 110300415
4-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)-1,3-thiazol-2-amine
CID 62788288
N-ethyl-N-(3-methylphenyl)-4-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)benzamide
CID 110300483
N,N-dipropyl-4-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)benzamide
CID 110300405

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)aniline?
The IUPAC name of 2-methyl-5-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)aniline (CID 43628629) is 2-methyl-5-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)aniline.
What is the SMILES notation for 2-methyl-5-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)aniline?
The canonical SMILES for 2-methyl-5-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)aniline is Cc1ccc(-c2nnc3ncccn23)cc1N.
What is the InChIKey of 2-methyl-5-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)aniline?
The InChIKey is WQZCVNWUCTYEAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5/c1-8-3-4-9(7-10(8)13)11-15-16-12-14-5-2-6-17(11)12/h2-7H,13H2,1H3.
What are the key properties of 2-methyl-5-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)aniline?
2-methyl-5-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)aniline has a molecular weight of 225.25 g/mol, XLogP of 1.68, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)aniline is sourced from PubChem (CID 43628629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).