4-ethyl-1-methyl-5-(1-methylpyrazol-4-yl)-7-[2-(1H-pyrazol-5-yl)imidazol-1-yl]-4H-[1,2,4]triazolo[4,3-f]pteridine

C20H20N12 — CID 67122086

IUPAC4-ethyl-1-methyl-5-(1-methylpyrazol-4-yl)-7-[2-(1H-pyrazol-5-yl)imidazol-1-yl]-4H-[1,2,4]triazolo[4,3-f]pteridine
SMILESCCC1c2nnc(C)n2-c2cnc(-n3ccnc3-c3ccn[nH]3)nc2N1c1cnn(C)c1
InChIInChI=1S/C20H20N12/c1-4-15-19-28-26-12(2)31(19)16-10-22-20(25-18(16)32(15)13-9-24-29(3)11-13)30-8-7-21-17(30)14-5-6-23-27-14/h5-11,15H,4H2,1-3H3,(H,23,27)
InChIKeyNHZSNNBLEBROCI-UHFFFAOYSA-N
MW428.46 g/mol
LogP2.28
Rot. Bonds4

About 4-ethyl-1-methyl-5-(1-methylpyrazol-4-yl)-7-[2-(1H-pyrazol-5-yl)imidazol-1-yl]-4H-[1,2,4]triazolo[4,3-f]pteridine

4-ethyl-1-methyl-5-(1-methylpyrazol-4-yl)-7-[2-(1H-pyrazol-5-yl)imidazol-1-yl]-4H-[1,2,4]triazolo[4,3-f]pteridine (PubChem CID 67122086) has the molecular formula C20H20N12 and a molecular weight of 428.46 g/mol. Its IUPAC name is 4-ethyl-1-methyl-5-(1-methylpyrazol-4-yl)-7-[2-(1H-pyrazol-5-yl)imidazol-1-yl]-4H-[1,2,4]triazolo[4,3-f]pteridine.

Molecular Properties

Compound Name4-ethyl-1-methyl-5-(1-methylpyrazol-4-yl)-7-[2-(1H-pyrazol-5-yl)imidazol-1-yl]-4H-[1,2,4]triazolo[4,3-f]pteridine
PubChem CID67122086
Molecular FormulaC20H20N12
Molecular Weight428.46 g/mol
Exact Mass428.19
IUPAC Name4-ethyl-1-methyl-5-(1-methylpyrazol-4-yl)-7-[2-(1H-pyrazol-5-yl)imidazol-1-yl]-4H-[1,2,4]triazolo[4,3-f]pteridine
SMILESCCC1c2nnc(C)n2-c2cnc(-n3ccnc3-c3ccn[nH]3)nc2N1c1cnn(C)c1
InChIInChI=1S/C20H20N12/c1-4-15-19-28-26-12(2)31(19)16-10-22-20(25-18(16)32(15)13-9-24-29(3)11-13)30-8-7-21-17(30)14-5-6-23-27-14/h5-11,15H,4H2,1-3H3,(H,23,27)
InChIKeyNHZSNNBLEBROCI-UHFFFAOYSA-N
XLogP2.28
TPSA124.05 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.46
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-methyl-5-(1-methylpyrazol-4-yl)-7-[2-(1H-pyrazol-5-yl)imidazol-1-yl]-4H-[1,2,4]triazolo[4,3-f]pteridine?
The IUPAC name of 4-ethyl-1-methyl-5-(1-methylpyrazol-4-yl)-7-[2-(1H-pyrazol-5-yl)imidazol-1-yl]-4H-[1,2,4]triazolo[4,3-f]pteridine (CID 67122086) is 4-ethyl-1-methyl-5-(1-methylpyrazol-4-yl)-7-[2-(1H-pyrazol-5-yl)imidazol-1-yl]-4H-[1,2,4]triazolo[4,3-f]pteridine.
What is the SMILES notation for 4-ethyl-1-methyl-5-(1-methylpyrazol-4-yl)-7-[2-(1H-pyrazol-5-yl)imidazol-1-yl]-4H-[1,2,4]triazolo[4,3-f]pteridine?
The canonical SMILES for 4-ethyl-1-methyl-5-(1-methylpyrazol-4-yl)-7-[2-(1H-pyrazol-5-yl)imidazol-1-yl]-4H-[1,2,4]triazolo[4,3-f]pteridine is CCC1c2nnc(C)n2-c2cnc(-n3ccnc3-c3ccn[nH]3)nc2N1c1cnn(C)c1.
What is the InChIKey of 4-ethyl-1-methyl-5-(1-methylpyrazol-4-yl)-7-[2-(1H-pyrazol-5-yl)imidazol-1-yl]-4H-[1,2,4]triazolo[4,3-f]pteridine?
The InChIKey is NHZSNNBLEBROCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N12/c1-4-15-19-28-26-12(2)31(19)16-10-22-20(25-18(16)32(15)13-9-24-29(3)11-13)30-8-7-21-17(30)14-5-6-23-27-14/h5-11,15H,4H2,1-3H3,(H,23,27).
What are the key properties of 4-ethyl-1-methyl-5-(1-methylpyrazol-4-yl)-7-[2-(1H-pyrazol-5-yl)imidazol-1-yl]-4H-[1,2,4]triazolo[4,3-f]pteridine?
4-ethyl-1-methyl-5-(1-methylpyrazol-4-yl)-7-[2-(1H-pyrazol-5-yl)imidazol-1-yl]-4H-[1,2,4]triazolo[4,3-f]pteridine has a molecular weight of 428.46 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-methyl-5-(1-methylpyrazol-4-yl)-7-[2-(1H-pyrazol-5-yl)imidazol-1-yl]-4H-[1,2,4]triazolo[4,3-f]pteridine is sourced from PubChem (CID 67122086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).