4-(7-azabicyclo[2.2.1]heptan-7-yl)-1,3,5-triazin-2-amine

C9H13N5 — CID 131001651

IUPAC4-(7-azabicyclo[2.2.1]heptan-7-yl)-1,3,5-triazin-2-amine
SMILESNc1ncnc(N2C3CCC2CC3)n1
InChIInChI=1S/C9H13N5/c10-8-11-5-12-9(13-8)14-6-1-2-7(14)4-3-6/h5-7H,1-4H2,(H2,10,11,12,13)
InChIKeyGRWLPMABOXHNIQ-UHFFFAOYSA-N
MW191.24 g/mol
LogP0.58
Rot. Bonds1

About 4-(7-azabicyclo[2.2.1]heptan-7-yl)-1,3,5-triazin-2-amine

4-(7-azabicyclo[2.2.1]heptan-7-yl)-1,3,5-triazin-2-amine (PubChem CID 131001651) has the molecular formula C9H13N5 and a molecular weight of 191.24 g/mol. Its IUPAC name is 4-(7-azabicyclo[2.2.1]heptan-7-yl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(7-azabicyclo[2.2.1]heptan-7-yl)-1,3,5-triazin-2-amine
PubChem CID131001651
Molecular FormulaC9H13N5
Molecular Weight191.24 g/mol
Exact Mass191.12
IUPAC Name4-(7-azabicyclo[2.2.1]heptan-7-yl)-1,3,5-triazin-2-amine
SMILESNc1ncnc(N2C3CCC2CC3)n1
InChIInChI=1S/C9H13N5/c10-8-11-5-12-9(13-8)14-6-1-2-7(14)4-3-6/h5-7H,1-4H2,(H2,10,11,12,13)
InChIKeyGRWLPMABOXHNIQ-UHFFFAOYSA-N
XLogP0.58
TPSA67.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.24
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(7-azabicyclo[2.2.1]heptan-7-yl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-(7-azabicyclo[2.2.1]heptan-7-yl)-1,3,5-triazin-2-amine (CID 131001651) is 4-(7-azabicyclo[2.2.1]heptan-7-yl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(7-azabicyclo[2.2.1]heptan-7-yl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(7-azabicyclo[2.2.1]heptan-7-yl)-1,3,5-triazin-2-amine is Nc1ncnc(N2C3CCC2CC3)n1.
What is the InChIKey of 4-(7-azabicyclo[2.2.1]heptan-7-yl)-1,3,5-triazin-2-amine?
The InChIKey is GRWLPMABOXHNIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5/c10-8-11-5-12-9(13-8)14-6-1-2-7(14)4-3-6/h5-7H,1-4H2,(H2,10,11,12,13).
What are the key properties of 4-(7-azabicyclo[2.2.1]heptan-7-yl)-1,3,5-triazin-2-amine?
4-(7-azabicyclo[2.2.1]heptan-7-yl)-1,3,5-triazin-2-amine has a molecular weight of 191.24 g/mol, XLogP of 0.58, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-azabicyclo[2.2.1]heptan-7-yl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 131001651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).