6-[4-(4-cyclopropyltriazol-1-yl)piperidin-1-yl]-7H-purine

C15H18N8 — CID 46983013

IUPAC6-[4-(4-cyclopropyltriazol-1-yl)piperidin-1-yl]-7H-purine
SMILESc1nc(N2CCC(n3cc(C4CC4)nn3)CC2)c2[nH]cnc2n1
InChIInChI=1S/C15H18N8/c1-2-10(1)12-7-23(21-20-12)11-3-5-22(6-4-11)15-13-14(17-8-16-13)18-9-19-15/h7-11H,1-6H2,(H,16,17,18,19)
InChIKeyZXPHRPQADNPTPS-UHFFFAOYSA-N
MW310.37 g/mol
LogP1.66
Rot. Bonds3

About 6-[4-(4-cyclopropyltriazol-1-yl)piperidin-1-yl]-7H-purine

6-[4-(4-cyclopropyltriazol-1-yl)piperidin-1-yl]-7H-purine (PubChem CID 46983013) has the molecular formula C15H18N8 and a molecular weight of 310.37 g/mol. Its IUPAC name is 6-[4-(4-cyclopropyltriazol-1-yl)piperidin-1-yl]-7H-purine.

Molecular Properties

Compound Name6-[4-(4-cyclopropyltriazol-1-yl)piperidin-1-yl]-7H-purine
PubChem CID46983013
Molecular FormulaC15H18N8
Molecular Weight310.37 g/mol
Exact Mass310.17
IUPAC Name6-[4-(4-cyclopropyltriazol-1-yl)piperidin-1-yl]-7H-purine
SMILESc1nc(N2CCC(n3cc(C4CC4)nn3)CC2)c2[nH]cnc2n1
InChIInChI=1S/C15H18N8/c1-2-10(1)12-7-23(21-20-12)11-3-5-22(6-4-11)15-13-14(17-8-16-13)18-9-19-15/h7-11H,1-6H2,(H,16,17,18,19)
InChIKeyZXPHRPQADNPTPS-UHFFFAOYSA-N
XLogP1.66
TPSA88.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.37
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(4-cyclopropyltriazol-1-yl)piperidin-1-yl]-7H-purine?
The IUPAC name of 6-[4-(4-cyclopropyltriazol-1-yl)piperidin-1-yl]-7H-purine (CID 46983013) is 6-[4-(4-cyclopropyltriazol-1-yl)piperidin-1-yl]-7H-purine.
What is the SMILES notation for 6-[4-(4-cyclopropyltriazol-1-yl)piperidin-1-yl]-7H-purine?
The canonical SMILES for 6-[4-(4-cyclopropyltriazol-1-yl)piperidin-1-yl]-7H-purine is c1nc(N2CCC(n3cc(C4CC4)nn3)CC2)c2[nH]cnc2n1.
What is the InChIKey of 6-[4-(4-cyclopropyltriazol-1-yl)piperidin-1-yl]-7H-purine?
The InChIKey is ZXPHRPQADNPTPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N8/c1-2-10(1)12-7-23(21-20-12)11-3-5-22(6-4-11)15-13-14(17-8-16-13)18-9-19-15/h7-11H,1-6H2,(H,16,17,18,19).
What are the key properties of 6-[4-(4-cyclopropyltriazol-1-yl)piperidin-1-yl]-7H-purine?
6-[4-(4-cyclopropyltriazol-1-yl)piperidin-1-yl]-7H-purine has a molecular weight of 310.37 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(4-cyclopropyltriazol-1-yl)piperidin-1-yl]-7H-purine is sourced from PubChem (CID 46983013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).