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

C19H22N6 — CID 11336584

IUPAC5-butyl-3-(3,4,5-trimethylpyrazol-1-yl)-[1,2,4]triazino[5,6-b]indole
SMILESCCCCn1c2ccccc2c2nnc(-n3nc(C)c(C)c3C)nc21
InChIInChI=1S/C19H22N6/c1-5-6-11-24-16-10-8-7-9-15(16)17-18(24)20-19(22-21-17)25-14(4)12(2)13(3)23-25/h7-10H,5-6,11H2,1-4H3
InChIKeyACLDTQWXZRDZHK-UHFFFAOYSA-N
MW334.43 g/mol
LogP3.89
Rot. Bonds4

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

5-butyl-3-(3,4,5-trimethylpyrazol-1-yl)-[1,2,4]triazino[5,6-b]indole (PubChem CID 11336584) has the molecular formula C19H22N6 and a molecular weight of 334.43 g/mol. Its IUPAC name is 5-butyl-3-(3,4,5-trimethylpyrazol-1-yl)-[1,2,4]triazino[5,6-b]indole.

Molecular Properties

Compound Name5-butyl-3-(3,4,5-trimethylpyrazol-1-yl)-[1,2,4]triazino[5,6-b]indole
PubChem CID11336584
Molecular FormulaC19H22N6
Molecular Weight334.43 g/mol
Exact Mass334.19
IUPAC Name5-butyl-3-(3,4,5-trimethylpyrazol-1-yl)-[1,2,4]triazino[5,6-b]indole
SMILESCCCCn1c2ccccc2c2nnc(-n3nc(C)c(C)c3C)nc21
InChIInChI=1S/C19H22N6/c1-5-6-11-24-16-10-8-7-9-15(16)17-18(24)20-19(22-21-17)25-14(4)12(2)13(3)23-25/h7-10H,5-6,11H2,1-4H3
InChIKeyACLDTQWXZRDZHK-UHFFFAOYSA-N
XLogP3.89
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.43
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-butyl-3-(3,4,5-trimethylpyrazol-1-yl)-[1,2,4]triazino[5,6-b]indole?
The IUPAC name of 5-butyl-3-(3,4,5-trimethylpyrazol-1-yl)-[1,2,4]triazino[5,6-b]indole (CID 11336584) is 5-butyl-3-(3,4,5-trimethylpyrazol-1-yl)-[1,2,4]triazino[5,6-b]indole.
What is the SMILES notation for 5-butyl-3-(3,4,5-trimethylpyrazol-1-yl)-[1,2,4]triazino[5,6-b]indole?
The canonical SMILES for 5-butyl-3-(3,4,5-trimethylpyrazol-1-yl)-[1,2,4]triazino[5,6-b]indole is CCCCn1c2ccccc2c2nnc(-n3nc(C)c(C)c3C)nc21.
What is the InChIKey of 5-butyl-3-(3,4,5-trimethylpyrazol-1-yl)-[1,2,4]triazino[5,6-b]indole?
The InChIKey is ACLDTQWXZRDZHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6/c1-5-6-11-24-16-10-8-7-9-15(16)17-18(24)20-19(22-21-17)25-14(4)12(2)13(3)23-25/h7-10H,5-6,11H2,1-4H3.
What are the key properties of 5-butyl-3-(3,4,5-trimethylpyrazol-1-yl)-[1,2,4]triazino[5,6-b]indole?
5-butyl-3-(3,4,5-trimethylpyrazol-1-yl)-[1,2,4]triazino[5,6-b]indole has a molecular weight of 334.43 g/mol, XLogP of 3.89, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-3-(3,4,5-trimethylpyrazol-1-yl)-[1,2,4]triazino[5,6-b]indole is sourced from PubChem (CID 11336584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).