8-N-[(3,4-dimethylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyrazine-3,8-diamine

C14H16N6 — CID 58328653

IUPAC8-N-[(3,4-dimethylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyrazine-3,8-diamine
SMILESCc1ccc(CNc2nccn3c(N)nnc23)cc1C
InChIInChI=1S/C14H16N6/c1-9-3-4-11(7-10(9)2)8-17-12-13-18-19-14(15)20(13)6-5-16-12/h3-7H,8H2,1-2H3,(H2,15,19)(H,16,17)
InChIKeyWRMVNGLNDXVJRZ-UHFFFAOYSA-N
MW268.32 g/mol
LogP1.94
Rot. Bonds3

About 8-N-[(3,4-dimethylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyrazine-3,8-diamine

8-N-[(3,4-dimethylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyrazine-3,8-diamine (PubChem CID 58328653) has the molecular formula C14H16N6 and a molecular weight of 268.32 g/mol. Its IUPAC name is 8-N-[(3,4-dimethylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyrazine-3,8-diamine.

Molecular Properties

Compound Name8-N-[(3,4-dimethylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyrazine-3,8-diamine
PubChem CID58328653
Molecular FormulaC14H16N6
Molecular Weight268.32 g/mol
Exact Mass268.14
IUPAC Name8-N-[(3,4-dimethylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyrazine-3,8-diamine
SMILESCc1ccc(CNc2nccn3c(N)nnc23)cc1C
InChIInChI=1S/C14H16N6/c1-9-3-4-11(7-10(9)2)8-17-12-13-18-19-14(15)20(13)6-5-16-12/h3-7H,8H2,1-2H3,(H2,15,19)(H,16,17)
InChIKeyWRMVNGLNDXVJRZ-UHFFFAOYSA-N
XLogP1.94
TPSA81.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-N-[(3,4-dimethylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyrazine-3,8-diamine?
The IUPAC name of 8-N-[(3,4-dimethylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyrazine-3,8-diamine (CID 58328653) is 8-N-[(3,4-dimethylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyrazine-3,8-diamine.
What is the SMILES notation for 8-N-[(3,4-dimethylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyrazine-3,8-diamine?
The canonical SMILES for 8-N-[(3,4-dimethylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyrazine-3,8-diamine is Cc1ccc(CNc2nccn3c(N)nnc23)cc1C.
What is the InChIKey of 8-N-[(3,4-dimethylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyrazine-3,8-diamine?
The InChIKey is WRMVNGLNDXVJRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6/c1-9-3-4-11(7-10(9)2)8-17-12-13-18-19-14(15)20(13)6-5-16-12/h3-7H,8H2,1-2H3,(H2,15,19)(H,16,17).
What are the key properties of 8-N-[(3,4-dimethylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyrazine-3,8-diamine?
8-N-[(3,4-dimethylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyrazine-3,8-diamine has a molecular weight of 268.32 g/mol, XLogP of 1.94, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-N-[(3,4-dimethylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyrazine-3,8-diamine is sourced from PubChem (CID 58328653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).