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

C19H18N12 — CID 66979907

IUPAC4-ethyl-5-(1-methylpyrazol-4-yl)-7-[2-(1H-pyrazol-5-yl)imidazol-1-yl]-4H-[1,2,4]triazolo[4,3-f]pteridine
SMILESCCC1c2nncn2-c2cnc(-n3ccnc3-c3ccn[nH]3)nc2N1c1cnn(C)c1
InChIInChI=1S/C19H18N12/c1-3-14-18-27-23-11-30(18)15-9-21-19(25-17(15)31(14)12-8-24-28(2)10-12)29-7-6-20-16(29)13-4-5-22-26-13/h4-11,14H,3H2,1-2H3,(H,22,26)
InChIKeySLFFBJSKJYXXHP-UHFFFAOYSA-N
MW414.44 g/mol
LogP1.97
Rot. Bonds4

About 4-ethyl-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-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 66979907) has the molecular formula C19H18N12 and a molecular weight of 414.44 g/mol. Its IUPAC name is 4-ethyl-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-5-(1-methylpyrazol-4-yl)-7-[2-(1H-pyrazol-5-yl)imidazol-1-yl]-4H-[1,2,4]triazolo[4,3-f]pteridine
PubChem CID66979907
Molecular FormulaC19H18N12
Molecular Weight414.44 g/mol
Exact Mass414.18
IUPAC Name4-ethyl-5-(1-methylpyrazol-4-yl)-7-[2-(1H-pyrazol-5-yl)imidazol-1-yl]-4H-[1,2,4]triazolo[4,3-f]pteridine
SMILESCCC1c2nncn2-c2cnc(-n3ccnc3-c3ccn[nH]3)nc2N1c1cnn(C)c1
InChIInChI=1S/C19H18N12/c1-3-14-18-27-23-11-30(18)15-9-21-19(25-17(15)31(14)12-8-24-28(2)10-12)29-7-6-20-16(29)13-4-5-22-26-13/h4-11,14H,3H2,1-2H3,(H,22,26)
InChIKeySLFFBJSKJYXXHP-UHFFFAOYSA-N
XLogP1.97
TPSA124.05 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.44
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-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-5-(1-methylpyrazol-4-yl)-7-[2-(1H-pyrazol-5-yl)imidazol-1-yl]-4H-[1,2,4]triazolo[4,3-f]pteridine (CID 66979907) is 4-ethyl-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-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-5-(1-methylpyrazol-4-yl)-7-[2-(1H-pyrazol-5-yl)imidazol-1-yl]-4H-[1,2,4]triazolo[4,3-f]pteridine is CCC1c2nncn2-c2cnc(-n3ccnc3-c3ccn[nH]3)nc2N1c1cnn(C)c1.
What is the InChIKey of 4-ethyl-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 SLFFBJSKJYXXHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N12/c1-3-14-18-27-23-11-30(18)15-9-21-19(25-17(15)31(14)12-8-24-28(2)10-12)29-7-6-20-16(29)13-4-5-22-26-13/h4-11,14H,3H2,1-2H3,(H,22,26).
What are the key properties of 4-ethyl-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-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 414.44 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-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 66979907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).