2,4-dimethyl-6-([1,2,4]triazolo[4,3-c]pyrimidin-3-yl)aniline

C13H13N5 — CID 79817674

IUPAC2,4-dimethyl-6-([1,2,4]triazolo[4,3-c]pyrimidin-3-yl)aniline
SMILESCc1cc(C)c(N)c(-c2nnc3ccncn23)c1
InChIInChI=1S/C13H13N5/c1-8-5-9(2)12(14)10(6-8)13-17-16-11-3-4-15-7-18(11)13/h3-7H,14H2,1-2H3
InChIKeyRQMOZXHXPPKCCF-UHFFFAOYSA-N
MW239.28 g/mol
LogP1.99
Rot. Bonds1

About 2,4-dimethyl-6-([1,2,4]triazolo[4,3-c]pyrimidin-3-yl)aniline

2,4-dimethyl-6-([1,2,4]triazolo[4,3-c]pyrimidin-3-yl)aniline (PubChem CID 79817674) has the molecular formula C13H13N5 and a molecular weight of 239.28 g/mol. Its IUPAC name is 2,4-dimethyl-6-([1,2,4]triazolo[4,3-c]pyrimidin-3-yl)aniline.

Molecular Properties

Compound Name2,4-dimethyl-6-([1,2,4]triazolo[4,3-c]pyrimidin-3-yl)aniline
PubChem CID79817674
Molecular FormulaC13H13N5
Molecular Weight239.28 g/mol
Exact Mass239.12
IUPAC Name2,4-dimethyl-6-([1,2,4]triazolo[4,3-c]pyrimidin-3-yl)aniline
SMILESCc1cc(C)c(N)c(-c2nnc3ccncn23)c1
InChIInChI=1S/C13H13N5/c1-8-5-9(2)12(14)10(6-8)13-17-16-11-3-4-15-7-18(11)13/h3-7H,14H2,1-2H3
InChIKeyRQMOZXHXPPKCCF-UHFFFAOYSA-N
XLogP1.99
TPSA69.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 51.99
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

2,4-difluoro-5-([1,2,4]triazolo[4,3-c]pyrimidin-3-yl)aniline
CID 79816625
5-fluoro-2-([1,2,4]triazolo[4,3-c]pyrimidin-3-yl)aniline
CID 79818016
3-fluoro-4-([1,2,4]triazolo[4,3-c]pyrimidin-3-yl)aniline
CID 107795299
4-methyl-5-([1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-1,3-thiazol-2-amine
CID 79816810
4-([1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-1,2,5-oxadiazol-3-amine
CID 79817903
3-fluoro-2-([1,2,4]triazolo[4,3-c]pyrimidin-3-yl)aniline
CID 79817899
3-iodo-[1,2,4]triazolo[4,3-c]pyrimidine
CID 134334464
2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-4,6-dimethylaniline
CID 63112611
[4-([1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-1,3-thiazol-2-yl]methanamine
CID 79817159
2-methyl-1-([1,2,4]triazolo[4,3-c]pyrimidin-3-yl)propan-2-amine
CID 79818137
3-(2-chloro-4-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine
CID 106863675
cobalt;2,4,6-trimethylaniline
CID 159454360

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-6-([1,2,4]triazolo[4,3-c]pyrimidin-3-yl)aniline?
The IUPAC name of 2,4-dimethyl-6-([1,2,4]triazolo[4,3-c]pyrimidin-3-yl)aniline (CID 79817674) is 2,4-dimethyl-6-([1,2,4]triazolo[4,3-c]pyrimidin-3-yl)aniline.
What is the SMILES notation for 2,4-dimethyl-6-([1,2,4]triazolo[4,3-c]pyrimidin-3-yl)aniline?
The canonical SMILES for 2,4-dimethyl-6-([1,2,4]triazolo[4,3-c]pyrimidin-3-yl)aniline is Cc1cc(C)c(N)c(-c2nnc3ccncn23)c1.
What is the InChIKey of 2,4-dimethyl-6-([1,2,4]triazolo[4,3-c]pyrimidin-3-yl)aniline?
The InChIKey is RQMOZXHXPPKCCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5/c1-8-5-9(2)12(14)10(6-8)13-17-16-11-3-4-15-7-18(11)13/h3-7H,14H2,1-2H3.
What are the key properties of 2,4-dimethyl-6-([1,2,4]triazolo[4,3-c]pyrimidin-3-yl)aniline?
2,4-dimethyl-6-([1,2,4]triazolo[4,3-c]pyrimidin-3-yl)aniline has a molecular weight of 239.28 g/mol, XLogP of 1.99, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-6-([1,2,4]triazolo[4,3-c]pyrimidin-3-yl)aniline is sourced from PubChem (CID 79817674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).