N-[[4-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)cyclohexyl]methyl]cyclopropanecarboxamide

C16H21N5O — CID 98079087

IUPACN-[[4-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)cyclohexyl]methyl]cyclopropanecarboxamide
SMILESO=C(NCC1CCC(c2ccnc3ncnn23)CC1)C1CC1
InChIInChI=1S/C16H21N5O/c22-15(13-5-6-13)18-9-11-1-3-12(4-2-11)14-7-8-17-16-19-10-20-21(14)16/h7-8,10-13H,1-6,9H2,(H,18,22)
InChIKeyZDIKJYRDTRQEEH-UHFFFAOYSA-N
MW299.38 g/mol
LogP1.92
Rot. Bonds4

About N-[[4-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)cyclohexyl]methyl]cyclopropanecarboxamide

N-[[4-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)cyclohexyl]methyl]cyclopropanecarboxamide (PubChem CID 98079087) has the molecular formula C16H21N5O and a molecular weight of 299.38 g/mol. Its IUPAC name is N-[[4-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)cyclohexyl]methyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[[4-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)cyclohexyl]methyl]cyclopropanecarboxamide
PubChem CID98079087
Molecular FormulaC16H21N5O
Molecular Weight299.38 g/mol
Exact Mass299.17
IUPAC NameN-[[4-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)cyclohexyl]methyl]cyclopropanecarboxamide
SMILESO=C(NCC1CCC(c2ccnc3ncnn23)CC1)C1CC1
InChIInChI=1S/C16H21N5O/c22-15(13-5-6-13)18-9-11-1-3-12(4-2-11)14-7-8-17-16-19-10-20-21(14)16/h7-8,10-13H,1-6,9H2,(H,18,22)
InChIKeyZDIKJYRDTRQEEH-UHFFFAOYSA-N
XLogP1.92
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[4-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)cyclohexyl]methyl]cyclopropanecarboxamide?
The IUPAC name of N-[[4-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)cyclohexyl]methyl]cyclopropanecarboxamide (CID 98079087) is N-[[4-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)cyclohexyl]methyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[[4-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)cyclohexyl]methyl]cyclopropanecarboxamide?
The canonical SMILES for N-[[4-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)cyclohexyl]methyl]cyclopropanecarboxamide is O=C(NCC1CCC(c2ccnc3ncnn23)CC1)C1CC1.
What is the InChIKey of N-[[4-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)cyclohexyl]methyl]cyclopropanecarboxamide?
The InChIKey is ZDIKJYRDTRQEEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O/c22-15(13-5-6-13)18-9-11-1-3-12(4-2-11)14-7-8-17-16-19-10-20-21(14)16/h7-8,10-13H,1-6,9H2,(H,18,22).
What are the key properties of N-[[4-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)cyclohexyl]methyl]cyclopropanecarboxamide?
N-[[4-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)cyclohexyl]methyl]cyclopropanecarboxamide has a molecular weight of 299.38 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)cyclohexyl]methyl]cyclopropanecarboxamide is sourced from PubChem (CID 98079087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).