6-(7-propan-2-yl-2-bicyclo[2.2.1]hept-5-enyl)-1,3,5-triazine-2,4-diamine

C13H19N5 — CID 21221887

IUPAC6-(7-propan-2-yl-2-bicyclo[2.2.1]hept-5-enyl)-1,3,5-triazine-2,4-diamine
SMILESCC(C)C1C2C=CC1C(c1nc(N)nc(N)n1)C2
InChIInChI=1S/C13H19N5/c1-6(2)10-7-3-4-8(10)9(5-7)11-16-12(14)18-13(15)17-11/h3-4,6-10H,5H2,1-2H3,(H4,14,15,16,17,18)
InChIKeyAEJBGTREAFVHEJ-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.60
Rot. Bonds2

About 6-(7-propan-2-yl-2-bicyclo[2.2.1]hept-5-enyl)-1,3,5-triazine-2,4-diamine

6-(7-propan-2-yl-2-bicyclo[2.2.1]hept-5-enyl)-1,3,5-triazine-2,4-diamine (PubChem CID 21221887) has the molecular formula C13H19N5 and a molecular weight of 245.33 g/mol. Its IUPAC name is 6-(7-propan-2-yl-2-bicyclo[2.2.1]hept-5-enyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(7-propan-2-yl-2-bicyclo[2.2.1]hept-5-enyl)-1,3,5-triazine-2,4-diamine
PubChem CID21221887
Molecular FormulaC13H19N5
Molecular Weight245.33 g/mol
Exact Mass245.16
IUPAC Name6-(7-propan-2-yl-2-bicyclo[2.2.1]hept-5-enyl)-1,3,5-triazine-2,4-diamine
SMILESCC(C)C1C2C=CC1C(c1nc(N)nc(N)n1)C2
InChIInChI=1S/C13H19N5/c1-6(2)10-7-3-4-8(10)9(5-7)11-16-12(14)18-13(15)17-11/h3-4,6-10H,5H2,1-2H3,(H4,14,15,16,17,18)
InChIKeyAEJBGTREAFVHEJ-UHFFFAOYSA-N
XLogP1.60
TPSA90.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(7-propan-2-yl-2-bicyclo[2.2.1]hept-5-enyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-(7-propan-2-yl-2-bicyclo[2.2.1]hept-5-enyl)-1,3,5-triazine-2,4-diamine (CID 21221887) is 6-(7-propan-2-yl-2-bicyclo[2.2.1]hept-5-enyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-(7-propan-2-yl-2-bicyclo[2.2.1]hept-5-enyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-(7-propan-2-yl-2-bicyclo[2.2.1]hept-5-enyl)-1,3,5-triazine-2,4-diamine is CC(C)C1C2C=CC1C(c1nc(N)nc(N)n1)C2.
What is the InChIKey of 6-(7-propan-2-yl-2-bicyclo[2.2.1]hept-5-enyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is AEJBGTREAFVHEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5/c1-6(2)10-7-3-4-8(10)9(5-7)11-16-12(14)18-13(15)17-11/h3-4,6-10H,5H2,1-2H3,(H4,14,15,16,17,18).
What are the key properties of 6-(7-propan-2-yl-2-bicyclo[2.2.1]hept-5-enyl)-1,3,5-triazine-2,4-diamine?
6-(7-propan-2-yl-2-bicyclo[2.2.1]hept-5-enyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 245.33 g/mol, XLogP of 1.60, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(7-propan-2-yl-2-bicyclo[2.2.1]hept-5-enyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 21221887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).