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

C16H16N6 — CID 2840123

IUPAC3-(3,5-dimethylpyrazol-1-yl)-5-ethyl-[1,2,4]triazino[5,6-b]indole
SMILESCCn1c2ccccc2c2nnc(-n3nc(C)cc3C)nc21
InChIInChI=1S/C16H16N6/c1-4-21-13-8-6-5-7-12(13)14-15(21)17-16(19-18-14)22-11(3)9-10(2)20-22/h5-9H,4H2,1-3H3
InChIKeyRMFWVZGZABPDKH-UHFFFAOYSA-N
MW292.35 g/mol
LogP2.80
Rot. Bonds2

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

3-(3,5-dimethylpyrazol-1-yl)-5-ethyl-[1,2,4]triazino[5,6-b]indole (PubChem CID 2840123) has the molecular formula C16H16N6 and a molecular weight of 292.35 g/mol. Its IUPAC name is 3-(3,5-dimethylpyrazol-1-yl)-5-ethyl-[1,2,4]triazino[5,6-b]indole.

Molecular Properties

Compound Name3-(3,5-dimethylpyrazol-1-yl)-5-ethyl-[1,2,4]triazino[5,6-b]indole
PubChem CID2840123
Molecular FormulaC16H16N6
Molecular Weight292.35 g/mol
Exact Mass292.14
IUPAC Name3-(3,5-dimethylpyrazol-1-yl)-5-ethyl-[1,2,4]triazino[5,6-b]indole
SMILESCCn1c2ccccc2c2nnc(-n3nc(C)cc3C)nc21
InChIInChI=1S/C16H16N6/c1-4-21-13-8-6-5-7-12(13)14-15(21)17-16(19-18-14)22-11(3)9-10(2)20-22/h5-9H,4H2,1-3H3
InChIKeyRMFWVZGZABPDKH-UHFFFAOYSA-N
XLogP2.80
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.35
LogP ≤ 52.80
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-ethyl-[1,2,4]triazino[5,6-b]indole?
The IUPAC name of 3-(3,5-dimethylpyrazol-1-yl)-5-ethyl-[1,2,4]triazino[5,6-b]indole (CID 2840123) is 3-(3,5-dimethylpyrazol-1-yl)-5-ethyl-[1,2,4]triazino[5,6-b]indole.
What is the SMILES notation for 3-(3,5-dimethylpyrazol-1-yl)-5-ethyl-[1,2,4]triazino[5,6-b]indole?
The canonical SMILES for 3-(3,5-dimethylpyrazol-1-yl)-5-ethyl-[1,2,4]triazino[5,6-b]indole is CCn1c2ccccc2c2nnc(-n3nc(C)cc3C)nc21.
What is the InChIKey of 3-(3,5-dimethylpyrazol-1-yl)-5-ethyl-[1,2,4]triazino[5,6-b]indole?
The InChIKey is RMFWVZGZABPDKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6/c1-4-21-13-8-6-5-7-12(13)14-15(21)17-16(19-18-14)22-11(3)9-10(2)20-22/h5-9H,4H2,1-3H3.
What are the key properties of 3-(3,5-dimethylpyrazol-1-yl)-5-ethyl-[1,2,4]triazino[5,6-b]indole?
3-(3,5-dimethylpyrazol-1-yl)-5-ethyl-[1,2,4]triazino[5,6-b]indole has a molecular weight of 292.35 g/mol, XLogP of 2.80, 2 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-ethyl-[1,2,4]triazino[5,6-b]indole is sourced from PubChem (CID 2840123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).