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

C11H15N5 — CID 21221890

IUPAC6-(3-methyl-2-bicyclo[2.2.1]hept-5-enyl)-1,3,5-triazine-2,4-diamine
SMILESCC1C2C=CC(C2)C1c1nc(N)nc(N)n1
InChIInChI=1S/C11H15N5/c1-5-6-2-3-7(4-6)8(5)9-14-10(12)16-11(13)15-9/h2-3,5-8H,4H2,1H3,(H4,12,13,14,15,16)
InChIKeyKEIMVOBPJCTFCZ-UHFFFAOYSA-N
MW217.28 g/mol
LogP0.96
Rot. Bonds1

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

6-(3-methyl-2-bicyclo[2.2.1]hept-5-enyl)-1,3,5-triazine-2,4-diamine (PubChem CID 21221890) has the molecular formula C11H15N5 and a molecular weight of 217.28 g/mol. Its IUPAC name is 6-(3-methyl-2-bicyclo[2.2.1]hept-5-enyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(3-methyl-2-bicyclo[2.2.1]hept-5-enyl)-1,3,5-triazine-2,4-diamine
PubChem CID21221890
Molecular FormulaC11H15N5
Molecular Weight217.28 g/mol
Exact Mass217.13
IUPAC Name6-(3-methyl-2-bicyclo[2.2.1]hept-5-enyl)-1,3,5-triazine-2,4-diamine
SMILESCC1C2C=CC(C2)C1c1nc(N)nc(N)n1
InChIInChI=1S/C11H15N5/c1-5-6-2-3-7(4-6)8(5)9-14-10(12)16-11(13)15-9/h2-3,5-8H,4H2,1H3,(H4,12,13,14,15,16)
InChIKeyKEIMVOBPJCTFCZ-UHFFFAOYSA-N
XLogP0.96
TPSA90.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.28
LogP ≤ 50.96
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-(3-methyl-2-bicyclo[2.2.1]hept-5-enyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-(3-methyl-2-bicyclo[2.2.1]hept-5-enyl)-1,3,5-triazine-2,4-diamine (CID 21221890) is 6-(3-methyl-2-bicyclo[2.2.1]hept-5-enyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-(3-methyl-2-bicyclo[2.2.1]hept-5-enyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-(3-methyl-2-bicyclo[2.2.1]hept-5-enyl)-1,3,5-triazine-2,4-diamine is CC1C2C=CC(C2)C1c1nc(N)nc(N)n1.
What is the InChIKey of 6-(3-methyl-2-bicyclo[2.2.1]hept-5-enyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is KEIMVOBPJCTFCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5/c1-5-6-2-3-7(4-6)8(5)9-14-10(12)16-11(13)15-9/h2-3,5-8H,4H2,1H3,(H4,12,13,14,15,16).
What are the key properties of 6-(3-methyl-2-bicyclo[2.2.1]hept-5-enyl)-1,3,5-triazine-2,4-diamine?
6-(3-methyl-2-bicyclo[2.2.1]hept-5-enyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 217.28 g/mol, XLogP of 0.96, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methyl-2-bicyclo[2.2.1]hept-5-enyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 21221890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).