1,3-dimethylpyrazolo[4,5-e][1,2,4]triazine

C6H7N5 — CID 101436265

IUPAC1,3-dimethylpyrazolo[4,5-e][1,2,4]triazine
SMILESCc1nn(C)c2nncnc12
InChIInChI=1S/C6H7N5/c1-4-5-6(11(2)10-4)9-8-3-7-5/h3H,1-2H3
InChIKeySCKUZKABTLSVSD-UHFFFAOYSA-N
MW149.16 g/mol
LogP0.07
Rot. Bonds

About 1,3-dimethylpyrazolo[4,5-e][1,2,4]triazine

1,3-dimethylpyrazolo[4,5-e][1,2,4]triazine (PubChem CID 101436265) has the molecular formula C6H7N5 and a molecular weight of 149.16 g/mol. Its IUPAC name is 1,3-dimethylpyrazolo[4,5-e][1,2,4]triazine.

Molecular Properties

Compound Name1,3-dimethylpyrazolo[4,5-e][1,2,4]triazine
PubChem CID101436265
Molecular FormulaC6H7N5
Molecular Weight149.16 g/mol
Exact Mass149.07
IUPAC Name1,3-dimethylpyrazolo[4,5-e][1,2,4]triazine
SMILESCc1nn(C)c2nncnc12
InChIInChI=1S/C6H7N5/c1-4-5-6(11(2)10-4)9-8-3-7-5/h3H,1-2H3
InChIKeySCKUZKABTLSVSD-UHFFFAOYSA-N
XLogP0.07
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.16
LogP ≤ 50.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethylpyrazolo[4,5-e][1,2,4]triazine?
The IUPAC name of 1,3-dimethylpyrazolo[4,5-e][1,2,4]triazine (CID 101436265) is 1,3-dimethylpyrazolo[4,5-e][1,2,4]triazine.
What is the SMILES notation for 1,3-dimethylpyrazolo[4,5-e][1,2,4]triazine?
The canonical SMILES for 1,3-dimethylpyrazolo[4,5-e][1,2,4]triazine is Cc1nn(C)c2nncnc12.
What is the InChIKey of 1,3-dimethylpyrazolo[4,5-e][1,2,4]triazine?
The InChIKey is SCKUZKABTLSVSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N5/c1-4-5-6(11(2)10-4)9-8-3-7-5/h3H,1-2H3.
What are the key properties of 1,3-dimethylpyrazolo[4,5-e][1,2,4]triazine?
1,3-dimethylpyrazolo[4,5-e][1,2,4]triazine has a molecular weight of 149.16 g/mol, XLogP of 0.07, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethylpyrazolo[4,5-e][1,2,4]triazine is sourced from PubChem (CID 101436265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).