2-N-(2-bicyclo[2.2.1]heptanyl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine

C13H17N7 — CID 80825648

IUPAC2-N-(2-bicyclo[2.2.1]heptanyl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
SMILESNc1nc(NC2CC3CCC2C3)nc(-n2cccn2)n1
InChIInChI=1S/C13H17N7/c14-11-17-12(16-10-7-8-2-3-9(10)6-8)19-13(18-11)20-5-1-4-15-20/h1,4-5,8-10H,2-3,6-7H2,(H3,14,16,17,18,19)
InChIKeyGDKVYYBOCKMINS-UHFFFAOYSA-N
MW271.33 g/mol
LogP1.24
Rot. Bonds3

About 2-N-(2-bicyclo[2.2.1]heptanyl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine

2-N-(2-bicyclo[2.2.1]heptanyl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine (PubChem CID 80825648) has the molecular formula C13H17N7 and a molecular weight of 271.33 g/mol. Its IUPAC name is 2-N-(2-bicyclo[2.2.1]heptanyl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(2-bicyclo[2.2.1]heptanyl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
PubChem CID80825648
Molecular FormulaC13H17N7
Molecular Weight271.33 g/mol
Exact Mass271.15
IUPAC Name2-N-(2-bicyclo[2.2.1]heptanyl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
SMILESNc1nc(NC2CC3CCC2C3)nc(-n2cccn2)n1
InChIInChI=1S/C13H17N7/c14-11-17-12(16-10-7-8-2-3-9(10)6-8)19-13(18-11)20-5-1-4-15-20/h1,4-5,8-10H,2-3,6-7H2,(H3,14,16,17,18,19)
InChIKeyGDKVYYBOCKMINS-UHFFFAOYSA-N
XLogP1.24
TPSA94.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.33
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-N-(2-bicyclo[2.2.1]heptanyl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(2-bicyclo[2.2.1]heptanyl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine (CID 80825648) is 2-N-(2-bicyclo[2.2.1]heptanyl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(2-bicyclo[2.2.1]heptanyl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(2-bicyclo[2.2.1]heptanyl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine is Nc1nc(NC2CC3CCC2C3)nc(-n2cccn2)n1.
What is the InChIKey of 2-N-(2-bicyclo[2.2.1]heptanyl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine?
The InChIKey is GDKVYYBOCKMINS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N7/c14-11-17-12(16-10-7-8-2-3-9(10)6-8)19-13(18-11)20-5-1-4-15-20/h1,4-5,8-10H,2-3,6-7H2,(H3,14,16,17,18,19).
What are the key properties of 2-N-(2-bicyclo[2.2.1]heptanyl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine?
2-N-(2-bicyclo[2.2.1]heptanyl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine has a molecular weight of 271.33 g/mol, XLogP of 1.24, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-bicyclo[2.2.1]heptanyl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80825648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).