5,6,7,8-tetrahydropteridine

C6H8N4 — CID 156

IUPAC5,6,7,8-tetrahydropteridine
SMILESc1ncc2c(n1)NCCN2
InChIInChI=1S/C6H8N4/c1-2-9-6-5(8-1)3-7-4-10-6/h3-4,8H,1-2H2,(H,7,9,10)
InChIKeyIDAICLIJTRXNER-UHFFFAOYSA-N
MW136.16 g/mol
LogP0.31
Rot. Bonds

About 5,6,7,8-tetrahydropteridine

5,6,7,8-tetrahydropteridine (PubChem CID 156) has the molecular formula C6H8N4 and a molecular weight of 136.16 g/mol. Its IUPAC name is 5,6,7,8-tetrahydropteridine.

Molecular Properties

Compound Name5,6,7,8-tetrahydropteridine
PubChem CID156
Molecular FormulaC6H8N4
Molecular Weight136.16 g/mol
Exact Mass136.07
IUPAC Name5,6,7,8-tetrahydropteridine
SMILESc1ncc2c(n1)NCCN2
InChIInChI=1S/C6H8N4/c1-2-9-6-5(8-1)3-7-4-10-6/h3-4,8H,1-2H2,(H,7,9,10)
InChIKeyIDAICLIJTRXNER-UHFFFAOYSA-N
XLogP0.31
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.16
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,6,7,8-tetrahydropteridine?
The IUPAC name of 5,6,7,8-tetrahydropteridine (CID 156) is 5,6,7,8-tetrahydropteridine.
What is the SMILES notation for 5,6,7,8-tetrahydropteridine?
The canonical SMILES for 5,6,7,8-tetrahydropteridine is c1ncc2c(n1)NCCN2.
What is the InChIKey of 5,6,7,8-tetrahydropteridine?
The InChIKey is IDAICLIJTRXNER-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N4/c1-2-9-6-5(8-1)3-7-4-10-6/h3-4,8H,1-2H2,(H,7,9,10).
What are the key properties of 5,6,7,8-tetrahydropteridine?
5,6,7,8-tetrahydropteridine has a molecular weight of 136.16 g/mol, XLogP of 0.31, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7,8-tetrahydropteridine is sourced from PubChem (CID 156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).