N-[2-(1,2,4-triazol-1-yl)ethyl]-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide

C16H20N10O — CID 72719816

IUPACN-[2-(1,2,4-triazol-1-yl)ethyl]-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide
SMILESO=C(NCCn1cncn1)C1CCN(c2cc(-n3cncn3)ncn2)CC1
InChIInChI=1S/C16H20N10O/c27-16(19-3-6-25-11-17-8-22-25)13-1-4-24(5-2-13)14-7-15(21-10-20-14)26-12-18-9-23-26/h7-13H,1-6H2,(H,19,27)
InChIKeyBPEMLVOOYIJQOB-UHFFFAOYSA-N
MW368.41 g/mol
LogP-0.32
Rot. Bonds6

About N-[2-(1,2,4-triazol-1-yl)ethyl]-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide

N-[2-(1,2,4-triazol-1-yl)ethyl]-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide (PubChem CID 72719816) has the molecular formula C16H20N10O and a molecular weight of 368.41 g/mol. Its IUPAC name is N-[2-(1,2,4-triazol-1-yl)ethyl]-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(1,2,4-triazol-1-yl)ethyl]-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide
PubChem CID72719816
Molecular FormulaC16H20N10O
Molecular Weight368.41 g/mol
Exact Mass368.18
IUPAC NameN-[2-(1,2,4-triazol-1-yl)ethyl]-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide
SMILESO=C(NCCn1cncn1)C1CCN(c2cc(-n3cncn3)ncn2)CC1
InChIInChI=1S/C16H20N10O/c27-16(19-3-6-25-11-17-8-22-25)13-1-4-24(5-2-13)14-7-15(21-10-20-14)26-12-18-9-23-26/h7-13H,1-6H2,(H,19,27)
InChIKeyBPEMLVOOYIJQOB-UHFFFAOYSA-N
XLogP-0.32
TPSA119.54 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 5-0.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1,2,4-triazol-1-yl)ethyl]-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide?
The IUPAC name of N-[2-(1,2,4-triazol-1-yl)ethyl]-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide (CID 72719816) is N-[2-(1,2,4-triazol-1-yl)ethyl]-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-[2-(1,2,4-triazol-1-yl)ethyl]-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide?
The canonical SMILES for N-[2-(1,2,4-triazol-1-yl)ethyl]-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide is O=C(NCCn1cncn1)C1CCN(c2cc(-n3cncn3)ncn2)CC1.
What is the InChIKey of N-[2-(1,2,4-triazol-1-yl)ethyl]-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide?
The InChIKey is BPEMLVOOYIJQOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N10O/c27-16(19-3-6-25-11-17-8-22-25)13-1-4-24(5-2-13)14-7-15(21-10-20-14)26-12-18-9-23-26/h7-13H,1-6H2,(H,19,27).
What are the key properties of N-[2-(1,2,4-triazol-1-yl)ethyl]-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide?
N-[2-(1,2,4-triazol-1-yl)ethyl]-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide has a molecular weight of 368.41 g/mol, XLogP of -0.32, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,2,4-triazol-1-yl)ethyl]-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide is sourced from PubChem (CID 72719816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).