N-[3-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propyl]cyclohexanecarboxamide

C15H21N5O — CID 91813896

IUPACN-[3-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propyl]cyclohexanecarboxamide
SMILESO=C(NCCCc1cnc2ncnn2c1)C1CCCCC1
InChIInChI=1S/C15H21N5O/c21-14(13-6-2-1-3-7-13)16-8-4-5-12-9-17-15-18-11-19-20(15)10-12/h9-11,13H,1-8H2,(H,16,21)
InChIKeyOGDPQDBVBBFOOZ-UHFFFAOYSA-N
MW287.37 g/mol
LogP1.75
Rot. Bonds5

About N-[3-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propyl]cyclohexanecarboxamide

N-[3-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propyl]cyclohexanecarboxamide (PubChem CID 91813896) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is N-[3-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[3-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propyl]cyclohexanecarboxamide
PubChem CID91813896
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC NameN-[3-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propyl]cyclohexanecarboxamide
SMILESO=C(NCCCc1cnc2ncnn2c1)C1CCCCC1
InChIInChI=1S/C15H21N5O/c21-14(13-6-2-1-3-7-13)16-8-4-5-12-9-17-15-18-11-19-20(15)10-12/h9-11,13H,1-8H2,(H,16,21)
InChIKeyOGDPQDBVBBFOOZ-UHFFFAOYSA-N
XLogP1.75
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propyl)-2-cyclopentylacetamide
CID 91813789
1-(3-([1,2,4]Triazolo[1,5-a]pyrimidin-6-yl)propyl)-3-(tert-butyl)urea
CID 91813907
(1S)-N-[2-(3-chloropyrazolo[1,5-a]pyrimidin-6-yl)ethyl]cyclohex-3-ene-1-carboxamide
CID 164633389
N,N-dimethyl-7-[4-(methylamino)-2-(trifluoromethyl)pyrazolo[1,5-a][1,3,5]triazin-8-yl]heptanamide
CID 91058059
N-(3-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propyl)-4,4,4-trifluorobutanamide
CID 92073348
N-(3-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propyl)-2,2,3,3,4,4,4-heptafluorobutanamide
CID 121144994
N-(3-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propyl)-2,2,2-trifluoroacetamide
CID 121144997
N-(3-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propyl)-2,2,3,3,3-pentafluoropropanamide
CID 121145000
(4S,5R)-4-[[(5-fluoropyrimidin-2-yl)amino]methyl]-1-methyl-5-(1-methylpyrazol-4-yl)pyrrolidin-2-one
CID 129004538
(5R,6S)-6-(1-ethylpyrazol-4-yl)-5-[(5-fluoropyrimidin-2-yl)amino]piperidin-2-one
CID 129006867
(5R,6S)-1-cyclopropyl-5-[[(5-fluoropyrimidin-2-yl)amino]methyl]-6-(1-methylpyrazol-4-yl)piperidin-2-one
CID 132370519
N-hydroxy-5-[2-methyl-4-(methylamino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]pentanamide
CID 10265557

Frequently Asked Questions

What is the IUPAC name of N-[3-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propyl]cyclohexanecarboxamide?
The IUPAC name of N-[3-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propyl]cyclohexanecarboxamide (CID 91813896) is N-[3-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[3-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propyl]cyclohexanecarboxamide?
The canonical SMILES for N-[3-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propyl]cyclohexanecarboxamide is O=C(NCCCc1cnc2ncnn2c1)C1CCCCC1.
What is the InChIKey of N-[3-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propyl]cyclohexanecarboxamide?
The InChIKey is OGDPQDBVBBFOOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O/c21-14(13-6-2-1-3-7-13)16-8-4-5-12-9-17-15-18-11-19-20(15)10-12/h9-11,13H,1-8H2,(H,16,21).
What are the key properties of N-[3-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propyl]cyclohexanecarboxamide?
N-[3-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propyl]cyclohexanecarboxamide has a molecular weight of 287.37 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propyl]cyclohexanecarboxamide is sourced from PubChem (CID 91813896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).