2-[4-(1,2,4-triazol-1-yl)piperidin-1-yl]pyrimidin-4-amine

C11H15N7 — CID 90178282

IUPAC2-[4-(1,2,4-triazol-1-yl)piperidin-1-yl]pyrimidin-4-amine
SMILESNc1ccnc(N2CCC(n3cncn3)CC2)n1
InChIInChI=1S/C11H15N7/c12-10-1-4-14-11(16-10)17-5-2-9(3-6-17)18-8-13-7-15-18/h1,4,7-9H,2-3,5-6H2,(H2,12,14,16)
InChIKeyGUSSWLZBBXIXTI-UHFFFAOYSA-N
MW245.29 g/mol
LogP0.49
Rot. Bonds2

About 2-[4-(1,2,4-triazol-1-yl)piperidin-1-yl]pyrimidin-4-amine

2-[4-(1,2,4-triazol-1-yl)piperidin-1-yl]pyrimidin-4-amine (PubChem CID 90178282) has the molecular formula C11H15N7 and a molecular weight of 245.29 g/mol. Its IUPAC name is 2-[4-(1,2,4-triazol-1-yl)piperidin-1-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-[4-(1,2,4-triazol-1-yl)piperidin-1-yl]pyrimidin-4-amine
PubChem CID90178282
Molecular FormulaC11H15N7
Molecular Weight245.29 g/mol
Exact Mass245.14
IUPAC Name2-[4-(1,2,4-triazol-1-yl)piperidin-1-yl]pyrimidin-4-amine
SMILESNc1ccnc(N2CCC(n3cncn3)CC2)n1
InChIInChI=1S/C11H15N7/c12-10-1-4-14-11(16-10)17-5-2-9(3-6-17)18-8-13-7-15-18/h1,4,7-9H,2-3,5-6H2,(H2,12,14,16)
InChIKeyGUSSWLZBBXIXTI-UHFFFAOYSA-N
XLogP0.49
TPSA85.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(1,2,4-triazol-1-yl)piperidin-1-yl]pyrimidin-4-amine?
The IUPAC name of 2-[4-(1,2,4-triazol-1-yl)piperidin-1-yl]pyrimidin-4-amine (CID 90178282) is 2-[4-(1,2,4-triazol-1-yl)piperidin-1-yl]pyrimidin-4-amine.
What is the SMILES notation for 2-[4-(1,2,4-triazol-1-yl)piperidin-1-yl]pyrimidin-4-amine?
The canonical SMILES for 2-[4-(1,2,4-triazol-1-yl)piperidin-1-yl]pyrimidin-4-amine is Nc1ccnc(N2CCC(n3cncn3)CC2)n1.
What is the InChIKey of 2-[4-(1,2,4-triazol-1-yl)piperidin-1-yl]pyrimidin-4-amine?
The InChIKey is GUSSWLZBBXIXTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N7/c12-10-1-4-14-11(16-10)17-5-2-9(3-6-17)18-8-13-7-15-18/h1,4,7-9H,2-3,5-6H2,(H2,12,14,16).
What are the key properties of 2-[4-(1,2,4-triazol-1-yl)piperidin-1-yl]pyrimidin-4-amine?
2-[4-(1,2,4-triazol-1-yl)piperidin-1-yl]pyrimidin-4-amine has a molecular weight of 245.29 g/mol, XLogP of 0.49, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1,2,4-triazol-1-yl)piperidin-1-yl]pyrimidin-4-amine is sourced from PubChem (CID 90178282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).