4-(2,6-dimethylpyrazolo[1,5-b][1,2,4]triazol-7-ylidene)-3-(5-methyl-1H-1,2,4-triazol-3-yl)but-2-en-2-amine

C13H16N8 — CID 123437100

IUPAC4-(2,6-dimethylpyrazolo[1,5-b][1,2,4]triazol-7-ylidene)-3-(5-methyl-1H-1,2,4-triazol-3-yl)but-2-en-2-amine
SMILESCC(N)=C(C=c1c(C)nn2nc(C)nc12)c1n[nH]c(C)n1
InChIInChI=1S/C13H16N8/c1-6(14)10(12-15-8(3)17-18-12)5-11-7(2)19-21-13(11)16-9(4)20-21/h5H,14H2,1-4H3,(H,15,17,18)
InChIKeyUYBPZFQLZJKRFH-UHFFFAOYSA-N
MW284.33 g/mol
LogP0.06
Rot. Bonds2

About 4-(2,6-dimethylpyrazolo[1,5-b][1,2,4]triazol-7-ylidene)-3-(5-methyl-1H-1,2,4-triazol-3-yl)but-2-en-2-amine

4-(2,6-dimethylpyrazolo[1,5-b][1,2,4]triazol-7-ylidene)-3-(5-methyl-1H-1,2,4-triazol-3-yl)but-2-en-2-amine (PubChem CID 123437100) has the molecular formula C13H16N8 and a molecular weight of 284.33 g/mol. Its IUPAC name is 4-(2,6-dimethylpyrazolo[1,5-b][1,2,4]triazol-7-ylidene)-3-(5-methyl-1H-1,2,4-triazol-3-yl)but-2-en-2-amine.

Molecular Properties

Compound Name4-(2,6-dimethylpyrazolo[1,5-b][1,2,4]triazol-7-ylidene)-3-(5-methyl-1H-1,2,4-triazol-3-yl)but-2-en-2-amine
PubChem CID123437100
Molecular FormulaC13H16N8
Molecular Weight284.33 g/mol
Exact Mass284.15
IUPAC Name4-(2,6-dimethylpyrazolo[1,5-b][1,2,4]triazol-7-ylidene)-3-(5-methyl-1H-1,2,4-triazol-3-yl)but-2-en-2-amine
SMILESCC(N)=C(C=c1c(C)nn2nc(C)nc12)c1n[nH]c(C)n1
InChIInChI=1S/C13H16N8/c1-6(14)10(12-15-8(3)17-18-12)5-11-7(2)19-21-13(11)16-9(4)20-21/h5H,14H2,1-4H3,(H,15,17,18)
InChIKeyUYBPZFQLZJKRFH-UHFFFAOYSA-N
XLogP0.06
TPSA110.67 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.33
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-(2,6-dimethylpyrazolo[1,5-b][1,2,4]triazol-7-ylidene)-3-(5-methyl-1H-1,2,4-triazol-3-yl)but-2-en-2-amine with MolForge

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Related Compounds

(8Z)-8-ethylidene-2,6,7-trimethyl-5-methylidene-3H-[1,2,4]triazolo[1,5-a]pyridin-4-ium
CID 91237336
(Z)-3-(3-cyclopenta-1,3-dien-1-yl-1H-1,2,4-triazol-5-yl)pent-2-en-2-amine
CID 143046635

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dimethylpyrazolo[1,5-b][1,2,4]triazol-7-ylidene)-3-(5-methyl-1H-1,2,4-triazol-3-yl)but-2-en-2-amine?
The IUPAC name of 4-(2,6-dimethylpyrazolo[1,5-b][1,2,4]triazol-7-ylidene)-3-(5-methyl-1H-1,2,4-triazol-3-yl)but-2-en-2-amine (CID 123437100) is 4-(2,6-dimethylpyrazolo[1,5-b][1,2,4]triazol-7-ylidene)-3-(5-methyl-1H-1,2,4-triazol-3-yl)but-2-en-2-amine.
What is the SMILES notation for 4-(2,6-dimethylpyrazolo[1,5-b][1,2,4]triazol-7-ylidene)-3-(5-methyl-1H-1,2,4-triazol-3-yl)but-2-en-2-amine?
The canonical SMILES for 4-(2,6-dimethylpyrazolo[1,5-b][1,2,4]triazol-7-ylidene)-3-(5-methyl-1H-1,2,4-triazol-3-yl)but-2-en-2-amine is CC(N)=C(C=c1c(C)nn2nc(C)nc12)c1n[nH]c(C)n1.
What is the InChIKey of 4-(2,6-dimethylpyrazolo[1,5-b][1,2,4]triazol-7-ylidene)-3-(5-methyl-1H-1,2,4-triazol-3-yl)but-2-en-2-amine?
The InChIKey is UYBPZFQLZJKRFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N8/c1-6(14)10(12-15-8(3)17-18-12)5-11-7(2)19-21-13(11)16-9(4)20-21/h5H,14H2,1-4H3,(H,15,17,18).
What are the key properties of 4-(2,6-dimethylpyrazolo[1,5-b][1,2,4]triazol-7-ylidene)-3-(5-methyl-1H-1,2,4-triazol-3-yl)but-2-en-2-amine?
4-(2,6-dimethylpyrazolo[1,5-b][1,2,4]triazol-7-ylidene)-3-(5-methyl-1H-1,2,4-triazol-3-yl)but-2-en-2-amine has a molecular weight of 284.33 g/mol, XLogP of 0.06, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dimethylpyrazolo[1,5-b][1,2,4]triazol-7-ylidene)-3-(5-methyl-1H-1,2,4-triazol-3-yl)but-2-en-2-amine is sourced from PubChem (CID 123437100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).