4-piperidin-1-yl-6-pyrazol-1-yl-1,3,5-triazin-2-amine

C11H15N7 — CID 80765065

IUPAC4-piperidin-1-yl-6-pyrazol-1-yl-1,3,5-triazin-2-amine
SMILESNc1nc(N2CCCCC2)nc(-n2cccn2)n1
InChIInChI=1S/C11H15N7/c12-9-14-10(17-6-2-1-3-7-17)16-11(15-9)18-8-4-5-13-18/h4-5,8H,1-3,6-7H2,(H2,12,14,15,16)
InChIKeyDYKJIMWEPBDOLH-UHFFFAOYSA-N
MW245.29 g/mol
LogP0.63
Rot. Bonds2

About 4-piperidin-1-yl-6-pyrazol-1-yl-1,3,5-triazin-2-amine

4-piperidin-1-yl-6-pyrazol-1-yl-1,3,5-triazin-2-amine (PubChem CID 80765065) has the molecular formula C11H15N7 and a molecular weight of 245.29 g/mol. Its IUPAC name is 4-piperidin-1-yl-6-pyrazol-1-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-piperidin-1-yl-6-pyrazol-1-yl-1,3,5-triazin-2-amine
PubChem CID80765065
Molecular FormulaC11H15N7
Molecular Weight245.29 g/mol
Exact Mass245.14
IUPAC Name4-piperidin-1-yl-6-pyrazol-1-yl-1,3,5-triazin-2-amine
SMILESNc1nc(N2CCCCC2)nc(-n2cccn2)n1
InChIInChI=1S/C11H15N7/c12-9-14-10(17-6-2-1-3-7-17)16-11(15-9)18-8-4-5-13-18/h4-5,8H,1-3,6-7H2,(H2,12,14,15,16)
InChIKeyDYKJIMWEPBDOLH-UHFFFAOYSA-N
XLogP0.63
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 ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-piperidin-1-yl-6-pyrazol-1-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-piperidin-1-yl-6-pyrazol-1-yl-1,3,5-triazin-2-amine (CID 80765065) is 4-piperidin-1-yl-6-pyrazol-1-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-piperidin-1-yl-6-pyrazol-1-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-piperidin-1-yl-6-pyrazol-1-yl-1,3,5-triazin-2-amine is Nc1nc(N2CCCCC2)nc(-n2cccn2)n1.
What is the InChIKey of 4-piperidin-1-yl-6-pyrazol-1-yl-1,3,5-triazin-2-amine?
The InChIKey is DYKJIMWEPBDOLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N7/c12-9-14-10(17-6-2-1-3-7-17)16-11(15-9)18-8-4-5-13-18/h4-5,8H,1-3,6-7H2,(H2,12,14,15,16).
What are the key properties of 4-piperidin-1-yl-6-pyrazol-1-yl-1,3,5-triazin-2-amine?
4-piperidin-1-yl-6-pyrazol-1-yl-1,3,5-triazin-2-amine has a molecular weight of 245.29 g/mol, XLogP of 0.63, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperidin-1-yl-6-pyrazol-1-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 80765065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).