2-N,4-N,7-trimethylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine

C8H12N6 — CID 3054724

IUPAC2-N,4-N,7-trimethylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine
SMILESCNc1nc(NC)n2nc(C)cc2n1
InChIInChI=1S/C8H12N6/c1-5-4-6-11-7(9-2)12-8(10-3)14(6)13-5/h4H,1-3H3,(H2,9,10,11,12)
InChIKeySLOMQRDGYPWRDX-UHFFFAOYSA-N
MW192.23 g/mol
LogP0.52
Rot. Bonds2

About 2-N,4-N,7-trimethylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine

2-N,4-N,7-trimethylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine (PubChem CID 3054724) has the molecular formula C8H12N6 and a molecular weight of 192.23 g/mol. Its IUPAC name is 2-N,4-N,7-trimethylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine.

Molecular Properties

Compound Name2-N,4-N,7-trimethylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine
PubChem CID3054724
Molecular FormulaC8H12N6
Molecular Weight192.23 g/mol
Exact Mass192.11
IUPAC Name2-N,4-N,7-trimethylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine
SMILESCNc1nc(NC)n2nc(C)cc2n1
InChIInChI=1S/C8H12N6/c1-5-4-6-11-7(9-2)12-8(10-3)14(6)13-5/h4H,1-3H3,(H2,9,10,11,12)
InChIKeySLOMQRDGYPWRDX-UHFFFAOYSA-N
XLogP0.52
TPSA67.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.23
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-N,4-N,7-trimethylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine?
The IUPAC name of 2-N,4-N,7-trimethylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine (CID 3054724) is 2-N,4-N,7-trimethylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine.
What is the SMILES notation for 2-N,4-N,7-trimethylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine?
The canonical SMILES for 2-N,4-N,7-trimethylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine is CNc1nc(NC)n2nc(C)cc2n1.
What is the InChIKey of 2-N,4-N,7-trimethylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine?
The InChIKey is SLOMQRDGYPWRDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N6/c1-5-4-6-11-7(9-2)12-8(10-3)14(6)13-5/h4H,1-3H3,(H2,9,10,11,12).
What are the key properties of 2-N,4-N,7-trimethylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine?
2-N,4-N,7-trimethylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine has a molecular weight of 192.23 g/mol, XLogP of 0.52, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N,7-trimethylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine is sourced from PubChem (CID 3054724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).