6-(4,6-diamino-1,3,5-triazin-2-yl)bicyclo[2.2.1]heptane-2-carbonitrile

C11H14N6 — CID 139694494

IUPAC6-(4,6-diamino-1,3,5-triazin-2-yl)bicyclo[2.2.1]heptane-2-carbonitrile
SMILESN#CC1CC2CC(c3nc(N)nc(N)n3)C1C2
InChIInChI=1S/C11H14N6/c12-4-6-1-5-2-7(6)8(3-5)9-15-10(13)17-11(14)16-9/h5-8H,1-3H2,(H4,13,14,15,16,17)
InChIKeyKODAWKQYDVNBMC-UHFFFAOYSA-N
MW230.27 g/mol
LogP0.69
Rot. Bonds1

About 6-(4,6-diamino-1,3,5-triazin-2-yl)bicyclo[2.2.1]heptane-2-carbonitrile

6-(4,6-diamino-1,3,5-triazin-2-yl)bicyclo[2.2.1]heptane-2-carbonitrile (PubChem CID 139694494) has the molecular formula C11H14N6 and a molecular weight of 230.27 g/mol. Its IUPAC name is 6-(4,6-diamino-1,3,5-triazin-2-yl)bicyclo[2.2.1]heptane-2-carbonitrile.

Molecular Properties

Compound Name6-(4,6-diamino-1,3,5-triazin-2-yl)bicyclo[2.2.1]heptane-2-carbonitrile
PubChem CID139694494
Molecular FormulaC11H14N6
Molecular Weight230.27 g/mol
Exact Mass230.13
IUPAC Name6-(4,6-diamino-1,3,5-triazin-2-yl)bicyclo[2.2.1]heptane-2-carbonitrile
SMILESN#CC1CC2CC(c3nc(N)nc(N)n3)C1C2
InChIInChI=1S/C11H14N6/c12-4-6-1-5-2-7(6)8(3-5)9-15-10(13)17-11(14)16-9/h5-8H,1-3H2,(H4,13,14,15,16,17)
InChIKeyKODAWKQYDVNBMC-UHFFFAOYSA-N
XLogP0.69
TPSA114.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(4,6-diamino-1,3,5-triazin-2-yl)bicyclo[2.2.1]heptane-2-carbonitrile?
The IUPAC name of 6-(4,6-diamino-1,3,5-triazin-2-yl)bicyclo[2.2.1]heptane-2-carbonitrile (CID 139694494) is 6-(4,6-diamino-1,3,5-triazin-2-yl)bicyclo[2.2.1]heptane-2-carbonitrile.
What is the SMILES notation for 6-(4,6-diamino-1,3,5-triazin-2-yl)bicyclo[2.2.1]heptane-2-carbonitrile?
The canonical SMILES for 6-(4,6-diamino-1,3,5-triazin-2-yl)bicyclo[2.2.1]heptane-2-carbonitrile is N#CC1CC2CC(c3nc(N)nc(N)n3)C1C2.
What is the InChIKey of 6-(4,6-diamino-1,3,5-triazin-2-yl)bicyclo[2.2.1]heptane-2-carbonitrile?
The InChIKey is KODAWKQYDVNBMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N6/c12-4-6-1-5-2-7(6)8(3-5)9-15-10(13)17-11(14)16-9/h5-8H,1-3H2,(H4,13,14,15,16,17).
What are the key properties of 6-(4,6-diamino-1,3,5-triazin-2-yl)bicyclo[2.2.1]heptane-2-carbonitrile?
6-(4,6-diamino-1,3,5-triazin-2-yl)bicyclo[2.2.1]heptane-2-carbonitrile has a molecular weight of 230.27 g/mol, XLogP of 0.69, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4,6-diamino-1,3,5-triazin-2-yl)bicyclo[2.2.1]heptane-2-carbonitrile is sourced from PubChem (CID 139694494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).