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

C15H21N7O — CID 90600236

IUPACN-propan-2-yl-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide
SMILESCC(C)NC(=O)C1CCN(c2cc(-n3cncn3)ncn2)CC1
InChIInChI=1S/C15H21N7O/c1-11(2)20-15(23)12-3-5-21(6-4-12)13-7-14(18-9-17-13)22-10-16-8-19-22/h7-12H,3-6H2,1-2H3,(H,20,23)
InChIKeyHLGTZCBANKUFIX-UHFFFAOYSA-N
MW315.38 g/mol
LogP0.80
Rot. Bonds4

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

N-propan-2-yl-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide (PubChem CID 90600236) has the molecular formula C15H21N7O and a molecular weight of 315.38 g/mol. Its IUPAC name is N-propan-2-yl-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-propan-2-yl-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide
PubChem CID90600236
Molecular FormulaC15H21N7O
Molecular Weight315.38 g/mol
Exact Mass315.18
IUPAC NameN-propan-2-yl-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide
SMILESCC(C)NC(=O)C1CCN(c2cc(-n3cncn3)ncn2)CC1
InChIInChI=1S/C15H21N7O/c1-11(2)20-15(23)12-3-5-21(6-4-12)13-7-14(18-9-17-13)22-10-16-8-19-22/h7-12H,3-6H2,1-2H3,(H,20,23)
InChIKeyHLGTZCBANKUFIX-UHFFFAOYSA-N
XLogP0.80
TPSA88.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide?
The IUPAC name of N-propan-2-yl-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide (CID 90600236) is N-propan-2-yl-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-propan-2-yl-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide?
The canonical SMILES for N-propan-2-yl-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide is CC(C)NC(=O)C1CCN(c2cc(-n3cncn3)ncn2)CC1.
What is the InChIKey of N-propan-2-yl-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide?
The InChIKey is HLGTZCBANKUFIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N7O/c1-11(2)20-15(23)12-3-5-21(6-4-12)13-7-14(18-9-17-13)22-10-16-8-19-22/h7-12H,3-6H2,1-2H3,(H,20,23).
What are the key properties of N-propan-2-yl-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide?
N-propan-2-yl-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide has a molecular weight of 315.38 g/mol, XLogP of 0.80, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide is sourced from PubChem (CID 90600236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).