3-methyl-N-(3-methylphenyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine

C13H13N5 — CID 58328545

IUPAC3-methyl-N-(3-methylphenyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
SMILESCc1cccc(Nc2nccn3c(C)nnc23)c1
InChIInChI=1S/C13H13N5/c1-9-4-3-5-11(8-9)15-12-13-17-16-10(2)18(13)7-6-14-12/h3-8H,1-2H3,(H,14,15)
InChIKeyPZXRNJKHDLMGHN-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.48
Rot. Bonds2

About 3-methyl-N-(3-methylphenyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine

3-methyl-N-(3-methylphenyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine (PubChem CID 58328545) has the molecular formula C13H13N5 and a molecular weight of 239.28 g/mol. Its IUPAC name is 3-methyl-N-(3-methylphenyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine.

Molecular Properties

Compound Name3-methyl-N-(3-methylphenyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
PubChem CID58328545
Molecular FormulaC13H13N5
Molecular Weight239.28 g/mol
Exact Mass239.12
IUPAC Name3-methyl-N-(3-methylphenyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
SMILESCc1cccc(Nc2nccn3c(C)nnc23)c1
InChIInChI=1S/C13H13N5/c1-9-4-3-5-11(8-9)15-12-13-17-16-10(2)18(13)7-6-14-12/h3-8H,1-2H3,(H,14,15)
InChIKeyPZXRNJKHDLMGHN-UHFFFAOYSA-N
XLogP2.48
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[8-(3-methylanilino)-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-propan-2-ylcarbamic acid
CID 67250361
N-(2-methoxy-4-methylphenyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 58328709
3-(3-methylanilino)pyrazine-2-carbothioamide
CID 55103328
6-N-methyl-8-N-(3-methylphenyl)imidazo[1,2-a]pyrazine-6,8-diamine
CID 80754749
2-N-(3-methylphenyl)-8-N-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrazine-2,8-diamine
CID 66584169
N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 65028737
1-butyl-N-(3-methylphenyl)imidazol-2-amine
CID 106560213
5-bromo-2-methyl-N-(3-methylphenyl)pyrimidin-4-amine
CID 142898848
N-but-3-en-2-yl-3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 115692073
N-(1-chloropropan-2-yl)-3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 65029623
N-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)morpholin-4-amine
CID 83025883
3-N-methyl-8-N-(2-methylphenyl)-[1,2,4]triazolo[4,3-a]pyrazine-3,8-diamine
CID 58328691

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(3-methylphenyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The IUPAC name of 3-methyl-N-(3-methylphenyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine (CID 58328545) is 3-methyl-N-(3-methylphenyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine.
What is the SMILES notation for 3-methyl-N-(3-methylphenyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The canonical SMILES for 3-methyl-N-(3-methylphenyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine is Cc1cccc(Nc2nccn3c(C)nnc23)c1.
What is the InChIKey of 3-methyl-N-(3-methylphenyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The InChIKey is PZXRNJKHDLMGHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5/c1-9-4-3-5-11(8-9)15-12-13-17-16-10(2)18(13)7-6-14-12/h3-8H,1-2H3,(H,14,15).
What are the key properties of 3-methyl-N-(3-methylphenyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
3-methyl-N-(3-methylphenyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine has a molecular weight of 239.28 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(3-methylphenyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine is sourced from PubChem (CID 58328545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).