1-propyl-5H-pteridine

C9H12N4 — CID 18535982

IUPAC1-propyl-5H-pteridine
SMILESCCCN1C=NC=C2NC=CN=C21
InChIInChI=1S/C9H12N4/c1-2-5-13-7-10-6-8-9(13)12-4-3-11-8/h3-4,6-7,11H,2,5H2,1H3
InChIKeyMGEWZHNDXVAYML-UHFFFAOYSA-N
MW176.22 g/mol
LogP1.05
Rot. Bonds2

About 1-propyl-5H-pteridine

1-propyl-5H-pteridine (PubChem CID 18535982) has the molecular formula C9H12N4 and a molecular weight of 176.22 g/mol. Its IUPAC name is 1-propyl-5H-pteridine.

Molecular Properties

Compound Name1-propyl-5H-pteridine
PubChem CID18535982
Molecular FormulaC9H12N4
Molecular Weight176.22 g/mol
Exact Mass176.11
IUPAC Name1-propyl-5H-pteridine
SMILESCCCN1C=NC=C2NC=CN=C21
InChIInChI=1S/C9H12N4/c1-2-5-13-7-10-6-8-9(13)12-4-3-11-8/h3-4,6-7,11H,2,5H2,1H3
InChIKeyMGEWZHNDXVAYML-UHFFFAOYSA-N
XLogP1.05
TPSA39.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-propyl-5H-pteridine 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-propyl-5H-pteridine?
The IUPAC name of 1-propyl-5H-pteridine (CID 18535982) is 1-propyl-5H-pteridine.
What is the SMILES notation for 1-propyl-5H-pteridine?
The canonical SMILES for 1-propyl-5H-pteridine is CCCN1C=NC=C2NC=CN=C21.
What is the InChIKey of 1-propyl-5H-pteridine?
The InChIKey is MGEWZHNDXVAYML-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4/c1-2-5-13-7-10-6-8-9(13)12-4-3-11-8/h3-4,6-7,11H,2,5H2,1H3.
What are the key properties of 1-propyl-5H-pteridine?
1-propyl-5H-pteridine has a molecular weight of 176.22 g/mol, XLogP of 1.05, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propyl-5H-pteridine is sourced from PubChem (CID 18535982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).