7-(1-adamantyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine

C15H22N4 — CID 136709349

IUPAC7-(1-adamantyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESc1nc2n(n1)C(C13CC4CC(CC(C4)C1)C3)CCN2
InChIInChI=1S/C15H22N4/c1-2-16-14-17-9-18-19(14)13(1)15-6-10-3-11(7-15)5-12(4-10)8-15/h9-13H,1-8H2,(H,16,17,18)
InChIKeyVTNPOSFPFFZTLS-UHFFFAOYSA-N
MW258.37 g/mol
LogP2.85
Rot. Bonds1

About 7-(1-adamantyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine

7-(1-adamantyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 136709349) has the molecular formula C15H22N4 and a molecular weight of 258.37 g/mol. Its IUPAC name is 7-(1-adamantyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-(1-adamantyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID136709349
Molecular FormulaC15H22N4
Molecular Weight258.37 g/mol
Exact Mass258.18
IUPAC Name7-(1-adamantyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESc1nc2n(n1)C(C13CC4CC(CC(C4)C1)C3)CCN2
InChIInChI=1S/C15H22N4/c1-2-16-14-17-9-18-19(14)13(1)15-6-10-3-11(7-15)5-12(4-10)8-15/h9-13H,1-8H2,(H,16,17,18)
InChIKeyVTNPOSFPFFZTLS-UHFFFAOYSA-N
XLogP2.85
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(1-adamantyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 7-(1-adamantyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine (CID 136709349) is 7-(1-adamantyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-(1-adamantyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-(1-adamantyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine is c1nc2n(n1)C(C13CC4CC(CC(C4)C1)C3)CCN2.
What is the InChIKey of 7-(1-adamantyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is VTNPOSFPFFZTLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4/c1-2-16-14-17-9-18-19(14)13(1)15-6-10-3-11(7-15)5-12(4-10)8-15/h9-13H,1-8H2,(H,16,17,18).
What are the key properties of 7-(1-adamantyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine?
7-(1-adamantyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 258.37 g/mol, XLogP of 2.85, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1-adamantyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 136709349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).