3-(3,5-dimethylpyrazol-1-yl)-5-methyl-[1,2,4]triazino[5,6-b]indole

C15H14N6 — CID 6401200

IUPAC3-(3,5-dimethylpyrazol-1-yl)-5-methyl-[1,2,4]triazino[5,6-b]indole
SMILESCc1cc(C)n(-c2nnc3c4ccccc4n(C)c3n2)n1
InChIInChI=1S/C15H14N6/c1-9-8-10(2)21(19-9)15-16-14-13(17-18-15)11-6-4-5-7-12(11)20(14)3/h4-8H,1-3H3
InChIKeyYNHIICDWLZREMH-UHFFFAOYSA-N
MW278.32 g/mol
LogP2.32
Rot. Bonds1

About 3-(3,5-dimethylpyrazol-1-yl)-5-methyl-[1,2,4]triazino[5,6-b]indole

3-(3,5-dimethylpyrazol-1-yl)-5-methyl-[1,2,4]triazino[5,6-b]indole (PubChem CID 6401200) has the molecular formula C15H14N6 and a molecular weight of 278.32 g/mol. Its IUPAC name is 3-(3,5-dimethylpyrazol-1-yl)-5-methyl-[1,2,4]triazino[5,6-b]indole.

Molecular Properties

Compound Name3-(3,5-dimethylpyrazol-1-yl)-5-methyl-[1,2,4]triazino[5,6-b]indole
PubChem CID6401200
Molecular FormulaC15H14N6
Molecular Weight278.32 g/mol
Exact Mass278.13
IUPAC Name3-(3,5-dimethylpyrazol-1-yl)-5-methyl-[1,2,4]triazino[5,6-b]indole
SMILESCc1cc(C)n(-c2nnc3c4ccccc4n(C)c3n2)n1
InChIInChI=1S/C15H14N6/c1-9-8-10(2)21(19-9)15-16-14-13(17-18-15)11-6-4-5-7-12(11)20(14)3/h4-8H,1-3H3
InChIKeyYNHIICDWLZREMH-UHFFFAOYSA-N
XLogP2.32
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.32
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylpyrazol-1-yl)-5-methyl-[1,2,4]triazino[5,6-b]indole?
The IUPAC name of 3-(3,5-dimethylpyrazol-1-yl)-5-methyl-[1,2,4]triazino[5,6-b]indole (CID 6401200) is 3-(3,5-dimethylpyrazol-1-yl)-5-methyl-[1,2,4]triazino[5,6-b]indole.
What is the SMILES notation for 3-(3,5-dimethylpyrazol-1-yl)-5-methyl-[1,2,4]triazino[5,6-b]indole?
The canonical SMILES for 3-(3,5-dimethylpyrazol-1-yl)-5-methyl-[1,2,4]triazino[5,6-b]indole is Cc1cc(C)n(-c2nnc3c4ccccc4n(C)c3n2)n1.
What is the InChIKey of 3-(3,5-dimethylpyrazol-1-yl)-5-methyl-[1,2,4]triazino[5,6-b]indole?
The InChIKey is YNHIICDWLZREMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N6/c1-9-8-10(2)21(19-9)15-16-14-13(17-18-15)11-6-4-5-7-12(11)20(14)3/h4-8H,1-3H3.
What are the key properties of 3-(3,5-dimethylpyrazol-1-yl)-5-methyl-[1,2,4]triazino[5,6-b]indole?
3-(3,5-dimethylpyrazol-1-yl)-5-methyl-[1,2,4]triazino[5,6-b]indole has a molecular weight of 278.32 g/mol, XLogP of 2.32, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylpyrazol-1-yl)-5-methyl-[1,2,4]triazino[5,6-b]indole is sourced from PubChem (CID 6401200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).