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

C14H21N7 — CID 50955713

IUPAC6-piperidin-1-yl-N-[2-(1,2,4-triazol-1-yl)propyl]pyrimidin-4-amine
SMILESCC(CNc1cc(N2CCCCC2)ncn1)n1cncn1
InChIInChI=1S/C14H21N7/c1-12(21-11-15-9-19-21)8-16-13-7-14(18-10-17-13)20-5-3-2-4-6-20/h7,9-12H,2-6,8H2,1H3,(H,16,17,18)
InChIKeyHIWZWIFPXBUTRF-UHFFFAOYSA-N
MW287.37 g/mol
LogP1.73
Rot. Bonds5

About 6-piperidin-1-yl-N-[2-(1,2,4-triazol-1-yl)propyl]pyrimidin-4-amine

6-piperidin-1-yl-N-[2-(1,2,4-triazol-1-yl)propyl]pyrimidin-4-amine (PubChem CID 50955713) has the molecular formula C14H21N7 and a molecular weight of 287.37 g/mol. Its IUPAC name is 6-piperidin-1-yl-N-[2-(1,2,4-triazol-1-yl)propyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-piperidin-1-yl-N-[2-(1,2,4-triazol-1-yl)propyl]pyrimidin-4-amine
PubChem CID50955713
Molecular FormulaC14H21N7
Molecular Weight287.37 g/mol
Exact Mass287.19
IUPAC Name6-piperidin-1-yl-N-[2-(1,2,4-triazol-1-yl)propyl]pyrimidin-4-amine
SMILESCC(CNc1cc(N2CCCCC2)ncn1)n1cncn1
InChIInChI=1S/C14H21N7/c1-12(21-11-15-9-19-21)8-16-13-7-14(18-10-17-13)20-5-3-2-4-6-20/h7,9-12H,2-6,8H2,1H3,(H,16,17,18)
InChIKeyHIWZWIFPXBUTRF-UHFFFAOYSA-N
XLogP1.73
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-piperidin-1-yl-N-[2-(1,2,4-triazol-1-yl)propyl]pyrimidin-4-amine?
The IUPAC name of 6-piperidin-1-yl-N-[2-(1,2,4-triazol-1-yl)propyl]pyrimidin-4-amine (CID 50955713) is 6-piperidin-1-yl-N-[2-(1,2,4-triazol-1-yl)propyl]pyrimidin-4-amine.
What is the SMILES notation for 6-piperidin-1-yl-N-[2-(1,2,4-triazol-1-yl)propyl]pyrimidin-4-amine?
The canonical SMILES for 6-piperidin-1-yl-N-[2-(1,2,4-triazol-1-yl)propyl]pyrimidin-4-amine is CC(CNc1cc(N2CCCCC2)ncn1)n1cncn1.
What is the InChIKey of 6-piperidin-1-yl-N-[2-(1,2,4-triazol-1-yl)propyl]pyrimidin-4-amine?
The InChIKey is HIWZWIFPXBUTRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N7/c1-12(21-11-15-9-19-21)8-16-13-7-14(18-10-17-13)20-5-3-2-4-6-20/h7,9-12H,2-6,8H2,1H3,(H,16,17,18).
What are the key properties of 6-piperidin-1-yl-N-[2-(1,2,4-triazol-1-yl)propyl]pyrimidin-4-amine?
6-piperidin-1-yl-N-[2-(1,2,4-triazol-1-yl)propyl]pyrimidin-4-amine has a molecular weight of 287.37 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-piperidin-1-yl-N-[2-(1,2,4-triazol-1-yl)propyl]pyrimidin-4-amine is sourced from PubChem (CID 50955713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).