1-ethyl-3-[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]urea

C14H21N7O — CID 45106448

IUPAC1-ethyl-3-[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]urea
SMILESCCNC(=O)NC1CCN(c2cc(C)nc3ncnn23)CC1
InChIInChI=1S/C14H21N7O/c1-3-15-14(22)19-11-4-6-20(7-5-11)12-8-10(2)18-13-16-9-17-21(12)13/h8-9,11H,3-7H2,1-2H3,(H2,15,19,22)
InChIKeyUAAAWZKIDLGNFD-UHFFFAOYSA-N
MW303.37 g/mol
LogP0.72
Rot. Bonds3

About 1-ethyl-3-[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]urea

1-ethyl-3-[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]urea (PubChem CID 45106448) has the molecular formula C14H21N7O and a molecular weight of 303.37 g/mol. Its IUPAC name is 1-ethyl-3-[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]urea.

Molecular Properties

Compound Name1-ethyl-3-[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]urea
PubChem CID45106448
Molecular FormulaC14H21N7O
Molecular Weight303.37 g/mol
Exact Mass303.18
IUPAC Name1-ethyl-3-[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]urea
SMILESCCNC(=O)NC1CCN(c2cc(C)nc3ncnn23)CC1
InChIInChI=1S/C14H21N7O/c1-3-15-14(22)19-11-4-6-20(7-5-11)12-8-10(2)18-13-16-9-17-21(12)13/h8-9,11H,3-7H2,1-2H3,(H2,15,19,22)
InChIKeyUAAAWZKIDLGNFD-UHFFFAOYSA-N
XLogP0.72
TPSA87.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]urea?
The IUPAC name of 1-ethyl-3-[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]urea (CID 45106448) is 1-ethyl-3-[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]urea.
What is the SMILES notation for 1-ethyl-3-[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]urea?
The canonical SMILES for 1-ethyl-3-[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]urea is CCNC(=O)NC1CCN(c2cc(C)nc3ncnn23)CC1.
What is the InChIKey of 1-ethyl-3-[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]urea?
The InChIKey is UAAAWZKIDLGNFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N7O/c1-3-15-14(22)19-11-4-6-20(7-5-11)12-8-10(2)18-13-16-9-17-21(12)13/h8-9,11H,3-7H2,1-2H3,(H2,15,19,22).
What are the key properties of 1-ethyl-3-[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]urea?
1-ethyl-3-[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]urea has a molecular weight of 303.37 g/mol, XLogP of 0.72, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]urea is sourced from PubChem (CID 45106448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).