1,2,3,4-tetrahydropteridine

C6H8N4 — CID 12531339

IUPAC1,2,3,4-tetrahydropteridine
SMILESc1cnc2c(n1)CNCN2
InChIInChI=1S/C6H8N4/c1-2-9-6-5(8-1)3-7-4-10-6/h1-2,7H,3-4H2,(H,9,10)
InChIKeyBHLDFACEVDGQSV-UHFFFAOYSA-N
MW136.16 g/mol
LogP-0.05
Rot. Bonds

About 1,2,3,4-tetrahydropteridine

1,2,3,4-tetrahydropteridine (PubChem CID 12531339) has the molecular formula C6H8N4 and a molecular weight of 136.16 g/mol. Its IUPAC name is 1,2,3,4-tetrahydropteridine.

Molecular Properties

Compound Name1,2,3,4-tetrahydropteridine
PubChem CID12531339
Molecular FormulaC6H8N4
Molecular Weight136.16 g/mol
Exact Mass136.07
IUPAC Name1,2,3,4-tetrahydropteridine
SMILESc1cnc2c(n1)CNCN2
InChIInChI=1S/C6H8N4/c1-2-9-6-5(8-1)3-7-4-10-6/h1-2,7H,3-4H2,(H,9,10)
InChIKeyBHLDFACEVDGQSV-UHFFFAOYSA-N
XLogP-0.05
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 ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4-tetrahydropteridine?
The IUPAC name of 1,2,3,4-tetrahydropteridine (CID 12531339) is 1,2,3,4-tetrahydropteridine.
What is the SMILES notation for 1,2,3,4-tetrahydropteridine?
The canonical SMILES for 1,2,3,4-tetrahydropteridine is c1cnc2c(n1)CNCN2.
What is the InChIKey of 1,2,3,4-tetrahydropteridine?
The InChIKey is BHLDFACEVDGQSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N4/c1-2-9-6-5(8-1)3-7-4-10-6/h1-2,7H,3-4H2,(H,9,10).
What are the key properties of 1,2,3,4-tetrahydropteridine?
1,2,3,4-tetrahydropteridine has a molecular weight of 136.16 g/mol, XLogP of -0.05, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4-tetrahydropteridine is sourced from PubChem (CID 12531339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).