6-[4-(4-cyclopropyltriazol-1-yl)piperidin-1-yl]-7H-purin-2-amine

C15H19N9 — CID 46993251

IUPAC6-[4-(4-cyclopropyltriazol-1-yl)piperidin-1-yl]-7H-purin-2-amine
SMILESNc1nc(N2CCC(n3cc(C4CC4)nn3)CC2)c2[nH]cnc2n1
InChIInChI=1S/C15H19N9/c16-15-19-13-12(17-8-18-13)14(20-15)23-5-3-10(4-6-23)24-7-11(21-22-24)9-1-2-9/h7-10H,1-6H2,(H3,16,17,18,19,20)
InChIKeyXHGRXUGYLVZOEZ-UHFFFAOYSA-N
MW325.38 g/mol
LogP1.25
Rot. Bonds3

About 6-[4-(4-cyclopropyltriazol-1-yl)piperidin-1-yl]-7H-purin-2-amine

6-[4-(4-cyclopropyltriazol-1-yl)piperidin-1-yl]-7H-purin-2-amine (PubChem CID 46993251) has the molecular formula C15H19N9 and a molecular weight of 325.38 g/mol. Its IUPAC name is 6-[4-(4-cyclopropyltriazol-1-yl)piperidin-1-yl]-7H-purin-2-amine.

Molecular Properties

Compound Name6-[4-(4-cyclopropyltriazol-1-yl)piperidin-1-yl]-7H-purin-2-amine
PubChem CID46993251
Molecular FormulaC15H19N9
Molecular Weight325.38 g/mol
Exact Mass325.18
IUPAC Name6-[4-(4-cyclopropyltriazol-1-yl)piperidin-1-yl]-7H-purin-2-amine
SMILESNc1nc(N2CCC(n3cc(C4CC4)nn3)CC2)c2[nH]cnc2n1
InChIInChI=1S/C15H19N9/c16-15-19-13-12(17-8-18-13)14(20-15)23-5-3-10(4-6-23)24-7-11(21-22-24)9-1-2-9/h7-10H,1-6H2,(H3,16,17,18,19,20)
InChIKeyXHGRXUGYLVZOEZ-UHFFFAOYSA-N
XLogP1.25
TPSA114.43 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.38
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(4-cyclopropyltriazol-1-yl)piperidin-1-yl]-7H-purin-2-amine?
The IUPAC name of 6-[4-(4-cyclopropyltriazol-1-yl)piperidin-1-yl]-7H-purin-2-amine (CID 46993251) is 6-[4-(4-cyclopropyltriazol-1-yl)piperidin-1-yl]-7H-purin-2-amine.
What is the SMILES notation for 6-[4-(4-cyclopropyltriazol-1-yl)piperidin-1-yl]-7H-purin-2-amine?
The canonical SMILES for 6-[4-(4-cyclopropyltriazol-1-yl)piperidin-1-yl]-7H-purin-2-amine is Nc1nc(N2CCC(n3cc(C4CC4)nn3)CC2)c2[nH]cnc2n1.
What is the InChIKey of 6-[4-(4-cyclopropyltriazol-1-yl)piperidin-1-yl]-7H-purin-2-amine?
The InChIKey is XHGRXUGYLVZOEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N9/c16-15-19-13-12(17-8-18-13)14(20-15)23-5-3-10(4-6-23)24-7-11(21-22-24)9-1-2-9/h7-10H,1-6H2,(H3,16,17,18,19,20).
What are the key properties of 6-[4-(4-cyclopropyltriazol-1-yl)piperidin-1-yl]-7H-purin-2-amine?
6-[4-(4-cyclopropyltriazol-1-yl)piperidin-1-yl]-7H-purin-2-amine has a molecular weight of 325.38 g/mol, XLogP of 1.25, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(4-cyclopropyltriazol-1-yl)piperidin-1-yl]-7H-purin-2-amine is sourced from PubChem (CID 46993251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).