N-(4-pyrimidin-2-yloxycyclohexyl)-1H-1,2,4-triazole-5-carboxamide

C13H16N6O2 — CID 90633421

IUPACN-(4-pyrimidin-2-yloxycyclohexyl)-1H-1,2,4-triazole-5-carboxamide
SMILESO=C(NC1CCC(Oc2ncccn2)CC1)c1ncn[nH]1
InChIInChI=1S/C13H16N6O2/c20-12(11-16-8-17-19-11)18-9-2-4-10(5-3-9)21-13-14-6-1-7-15-13/h1,6-10H,2-5H2,(H,18,20)(H,16,17,19)
InChIKeyLYWZOPQBYJDVDJ-UHFFFAOYSA-N
MW288.31 g/mol
LogP0.71
Rot. Bonds4

About N-(4-pyrimidin-2-yloxycyclohexyl)-1H-1,2,4-triazole-5-carboxamide

N-(4-pyrimidin-2-yloxycyclohexyl)-1H-1,2,4-triazole-5-carboxamide (PubChem CID 90633421) has the molecular formula C13H16N6O2 and a molecular weight of 288.31 g/mol. Its IUPAC name is N-(4-pyrimidin-2-yloxycyclohexyl)-1H-1,2,4-triazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-pyrimidin-2-yloxycyclohexyl)-1H-1,2,4-triazole-5-carboxamide
PubChem CID90633421
Molecular FormulaC13H16N6O2
Molecular Weight288.31 g/mol
Exact Mass288.13
IUPAC NameN-(4-pyrimidin-2-yloxycyclohexyl)-1H-1,2,4-triazole-5-carboxamide
SMILESO=C(NC1CCC(Oc2ncccn2)CC1)c1ncn[nH]1
InChIInChI=1S/C13H16N6O2/c20-12(11-16-8-17-19-11)18-9-2-4-10(5-3-9)21-13-14-6-1-7-15-13/h1,6-10H,2-5H2,(H,18,20)(H,16,17,19)
InChIKeyLYWZOPQBYJDVDJ-UHFFFAOYSA-N
XLogP0.71
TPSA105.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-oxo-N-(4-pyrimidin-2-yloxycyclohexyl)-1H-pyridazine-3-carboxamide
CID 90633191
3-phenyl-N-(4-pyrimidin-2-yloxycyclohexyl)-1H-pyrazole-5-carboxamide
CID 90633193
(2R)-5-oxo-N-(4-pyrimidin-2-yloxycyclohexyl)pyrrolidine-2-carboxamide
CID 100749039
(3-pyrimidin-2-yloxypiperidin-1-yl)-(1H-1,2,4-triazol-5-yl)methanone
CID 122257461
N-(4-pyrimidin-2-yloxycyclohexyl)cyclopentanecarboxamide
CID 90633226
N-(1-methylpiperidin-4-yl)-1H-1,2,4-triazole-5-carboxamide
CID 67184534
N-(4-pyrimidin-2-yloxycyclohexyl)naphthalene-2-carboxamide
CID 90633284
5-chloro-N-(4-pyrimidin-2-yloxycyclohexyl)thiophene-2-carboxamide
CID 91626280
1-ethyl-3-(4-pyrimidin-2-yloxycyclohexyl)urea
CID 90633499
2-methylsulfanyl-N-(4-pyrimidin-2-yloxycyclohexyl)benzamide
CID 90633334
4-nitro-N-(4-pyrimidin-2-yloxycyclohexyl)benzamide
CID 90633273
N-(4-pyrimidin-2-yloxycyclohexyl)quinoxaline-2-carboxamide
CID 90633350

Frequently Asked Questions

What is the IUPAC name of N-(4-pyrimidin-2-yloxycyclohexyl)-1H-1,2,4-triazole-5-carboxamide?
The IUPAC name of N-(4-pyrimidin-2-yloxycyclohexyl)-1H-1,2,4-triazole-5-carboxamide (CID 90633421) is N-(4-pyrimidin-2-yloxycyclohexyl)-1H-1,2,4-triazole-5-carboxamide.
What is the SMILES notation for N-(4-pyrimidin-2-yloxycyclohexyl)-1H-1,2,4-triazole-5-carboxamide?
The canonical SMILES for N-(4-pyrimidin-2-yloxycyclohexyl)-1H-1,2,4-triazole-5-carboxamide is O=C(NC1CCC(Oc2ncccn2)CC1)c1ncn[nH]1.
What is the InChIKey of N-(4-pyrimidin-2-yloxycyclohexyl)-1H-1,2,4-triazole-5-carboxamide?
The InChIKey is LYWZOPQBYJDVDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N6O2/c20-12(11-16-8-17-19-11)18-9-2-4-10(5-3-9)21-13-14-6-1-7-15-13/h1,6-10H,2-5H2,(H,18,20)(H,16,17,19).
What are the key properties of N-(4-pyrimidin-2-yloxycyclohexyl)-1H-1,2,4-triazole-5-carboxamide?
N-(4-pyrimidin-2-yloxycyclohexyl)-1H-1,2,4-triazole-5-carboxamide has a molecular weight of 288.31 g/mol, XLogP of 0.71, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-pyrimidin-2-yloxycyclohexyl)-1H-1,2,4-triazole-5-carboxamide is sourced from PubChem (CID 90633421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).