1,2,5,6,7,8-hexahydropteridine

C6H10N4 — CID 90076722

IUPAC1,2,5,6,7,8-hexahydropteridine
SMILESC1=NCNC2=C1NCCN2
InChIInChI=1S/C6H10N4/c1-2-9-6-5(8-1)3-7-4-10-6/h3,8-10H,1-2,4H2
InChIKeyKWYJQDXEGAJNNQ-UHFFFAOYSA-N
MW138.17 g/mol
LogP-1.02
Rot. Bonds

About 1,2,5,6,7,8-hexahydropteridine

1,2,5,6,7,8-hexahydropteridine (PubChem CID 90076722) has the molecular formula C6H10N4 and a molecular weight of 138.17 g/mol. Its IUPAC name is 1,2,5,6,7,8-hexahydropteridine.

Molecular Properties

Compound Name1,2,5,6,7,8-hexahydropteridine
PubChem CID90076722
Molecular FormulaC6H10N4
Molecular Weight138.17 g/mol
Exact Mass138.09
IUPAC Name1,2,5,6,7,8-hexahydropteridine
SMILESC1=NCNC2=C1NCCN2
InChIInChI=1S/C6H10N4/c1-2-9-6-5(8-1)3-7-4-10-6/h3,8-10H,1-2,4H2
InChIKeyKWYJQDXEGAJNNQ-UHFFFAOYSA-N
XLogP-1.02
TPSA48.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 5-1.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1,2,5,6,7,8-hexahydropteridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,2,5,6,7,8-hexahydropteridine?
The IUPAC name of 1,2,5,6,7,8-hexahydropteridine (CID 90076722) is 1,2,5,6,7,8-hexahydropteridine.
What is the SMILES notation for 1,2,5,6,7,8-hexahydropteridine?
The canonical SMILES for 1,2,5,6,7,8-hexahydropteridine is C1=NCNC2=C1NCCN2.
What is the InChIKey of 1,2,5,6,7,8-hexahydropteridine?
The InChIKey is KWYJQDXEGAJNNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4/c1-2-9-6-5(8-1)3-7-4-10-6/h3,8-10H,1-2,4H2.
What are the key properties of 1,2,5,6,7,8-hexahydropteridine?
1,2,5,6,7,8-hexahydropteridine has a molecular weight of 138.17 g/mol, XLogP of -1.02, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,5,6,7,8-hexahydropteridine is sourced from PubChem (CID 90076722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).