6-[(1S,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]-1,3,5-triazine-2,4-diamine

C10H13N5 — CID 51381031

IUPAC6-[(1S,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]-1,3,5-triazine-2,4-diamine
SMILESNc1nc(N)nc([C@@H]2C[C@H]3C=C[C@@H]2C3)n1
InChIInChI=1S/C10H13N5/c11-9-13-8(14-10(12)15-9)7-4-5-1-2-6(7)3-5/h1-2,5-7H,3-4H2,(H4,11,12,13,14,15)/t5-,6+,7+/m0/s1
InChIKeyYQWDFJBNDRSRRN-RRKCRQDMSA-N
MW203.25 g/mol
LogP0.72
Rot. Bonds1

About 6-[(1S,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]-1,3,5-triazine-2,4-diamine

6-[(1S,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]-1,3,5-triazine-2,4-diamine (PubChem CID 51381031) has the molecular formula C10H13N5 and a molecular weight of 203.25 g/mol. Its IUPAC name is 6-[(1S,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-[(1S,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]-1,3,5-triazine-2,4-diamine
PubChem CID51381031
Molecular FormulaC10H13N5
Molecular Weight203.25 g/mol
Exact Mass203.12
IUPAC Name6-[(1S,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]-1,3,5-triazine-2,4-diamine
SMILESNc1nc(N)nc([C@@H]2C[C@H]3C=C[C@@H]2C3)n1
InChIInChI=1S/C10H13N5/c11-9-13-8(14-10(12)15-9)7-4-5-1-2-6(7)3-5/h1-2,5-7H,3-4H2,(H4,11,12,13,14,15)/t5-,6+,7+/m0/s1
InChIKeyYQWDFJBNDRSRRN-RRKCRQDMSA-N
XLogP0.72
TPSA90.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 6-[(1S,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]-1,3,5-triazine-2,4-diamine 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 6-[(1S,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-[(1S,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]-1,3,5-triazine-2,4-diamine (CID 51381031) is 6-[(1S,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-[(1S,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-[(1S,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]-1,3,5-triazine-2,4-diamine is Nc1nc(N)nc([C@@H]2C[C@H]3C=C[C@@H]2C3)n1.
What is the InChIKey of 6-[(1S,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is YQWDFJBNDRSRRN-RRKCRQDMSA-N. The full InChI is InChI=1S/C10H13N5/c11-9-13-8(14-10(12)15-9)7-4-5-1-2-6(7)3-5/h1-2,5-7H,3-4H2,(H4,11,12,13,14,15)/t5-,6+,7+/m0/s1.
What are the key properties of 6-[(1S,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]-1,3,5-triazine-2,4-diamine?
6-[(1S,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 203.25 g/mol, XLogP of 0.72, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1S,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 51381031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).