2,4-bis(3,5-dimethylpyrazol-1-yl)-6-methoxy-1,3,5-triazine

C14H17N7O — CID 672552

IUPAC2,4-bis(3,5-dimethylpyrazol-1-yl)-6-methoxy-1,3,5-triazine
SMILESCOc1nc(-n2nc(C)cc2C)nc(-n2nc(C)cc2C)n1
InChIInChI=1S/C14H17N7O/c1-8-6-10(3)20(18-8)12-15-13(17-14(16-12)22-5)21-11(4)7-9(2)19-21/h6-7H,1-5H3
InChIKeyPDVJWIVUOGCLMY-UHFFFAOYSA-N
MW299.34 g/mol
LogP1.49
Rot. Bonds3

About 2,4-bis(3,5-dimethylpyrazol-1-yl)-6-methoxy-1,3,5-triazine

2,4-bis(3,5-dimethylpyrazol-1-yl)-6-methoxy-1,3,5-triazine (PubChem CID 672552) has the molecular formula C14H17N7O and a molecular weight of 299.34 g/mol. Its IUPAC name is 2,4-bis(3,5-dimethylpyrazol-1-yl)-6-methoxy-1,3,5-triazine.

Molecular Properties

Compound Name2,4-bis(3,5-dimethylpyrazol-1-yl)-6-methoxy-1,3,5-triazine
PubChem CID672552
Molecular FormulaC14H17N7O
Molecular Weight299.34 g/mol
Exact Mass299.15
IUPAC Name2,4-bis(3,5-dimethylpyrazol-1-yl)-6-methoxy-1,3,5-triazine
SMILESCOc1nc(-n2nc(C)cc2C)nc(-n2nc(C)cc2C)n1
InChIInChI=1S/C14H17N7O/c1-8-6-10(3)20(18-8)12-15-13(17-14(16-12)22-5)21-11(4)7-9(2)19-21/h6-7H,1-5H3
InChIKeyPDVJWIVUOGCLMY-UHFFFAOYSA-N
XLogP1.49
TPSA83.54 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.34
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2,4-bis(3,5-dimethylpyrazol-1-yl)-6-methoxy-1,3,5-triazine?
The IUPAC name of 2,4-bis(3,5-dimethylpyrazol-1-yl)-6-methoxy-1,3,5-triazine (CID 672552) is 2,4-bis(3,5-dimethylpyrazol-1-yl)-6-methoxy-1,3,5-triazine.
What is the SMILES notation for 2,4-bis(3,5-dimethylpyrazol-1-yl)-6-methoxy-1,3,5-triazine?
The canonical SMILES for 2,4-bis(3,5-dimethylpyrazol-1-yl)-6-methoxy-1,3,5-triazine is COc1nc(-n2nc(C)cc2C)nc(-n2nc(C)cc2C)n1.
What is the InChIKey of 2,4-bis(3,5-dimethylpyrazol-1-yl)-6-methoxy-1,3,5-triazine?
The InChIKey is PDVJWIVUOGCLMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N7O/c1-8-6-10(3)20(18-8)12-15-13(17-14(16-12)22-5)21-11(4)7-9(2)19-21/h6-7H,1-5H3.
What are the key properties of 2,4-bis(3,5-dimethylpyrazol-1-yl)-6-methoxy-1,3,5-triazine?
2,4-bis(3,5-dimethylpyrazol-1-yl)-6-methoxy-1,3,5-triazine has a molecular weight of 299.34 g/mol, XLogP of 1.49, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(3,5-dimethylpyrazol-1-yl)-6-methoxy-1,3,5-triazine is sourced from PubChem (CID 672552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).