1-ethenyl-5H-pteridine

C8H8N4 — CID 173155907

IUPAC1-ethenyl-5H-pteridine
SMILESC=CN1C=NC=C2NC=CN=C21
InChIInChI=1S/C8H8N4/c1-2-12-6-9-5-7-8(12)11-4-3-10-7/h2-6,10H,1H2
InChIKeyYEGUEQBBMDHNMJ-UHFFFAOYSA-N
MW160.18 g/mol
LogP0.79
Rot. Bonds1

About 1-ethenyl-5H-pteridine

1-ethenyl-5H-pteridine (PubChem CID 173155907) has the molecular formula C8H8N4 and a molecular weight of 160.18 g/mol. Its IUPAC name is 1-ethenyl-5H-pteridine.

Molecular Properties

Compound Name1-ethenyl-5H-pteridine
PubChem CID173155907
Molecular FormulaC8H8N4
Molecular Weight160.18 g/mol
Exact Mass160.07
IUPAC Name1-ethenyl-5H-pteridine
SMILESC=CN1C=NC=C2NC=CN=C21
InChIInChI=1S/C8H8N4/c1-2-12-6-9-5-7-8(12)11-4-3-10-7/h2-6,10H,1H2
InChIKeyYEGUEQBBMDHNMJ-UHFFFAOYSA-N
XLogP0.79
TPSA39.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.18
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-5H-pteridine?
The IUPAC name of 1-ethenyl-5H-pteridine (CID 173155907) is 1-ethenyl-5H-pteridine.
What is the SMILES notation for 1-ethenyl-5H-pteridine?
The canonical SMILES for 1-ethenyl-5H-pteridine is C=CN1C=NC=C2NC=CN=C21.
What is the InChIKey of 1-ethenyl-5H-pteridine?
The InChIKey is YEGUEQBBMDHNMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4/c1-2-12-6-9-5-7-8(12)11-4-3-10-7/h2-6,10H,1H2.
What are the key properties of 1-ethenyl-5H-pteridine?
1-ethenyl-5H-pteridine has a molecular weight of 160.18 g/mol, XLogP of 0.79, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-5H-pteridine is sourced from PubChem (CID 173155907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).