N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]morpholine-2-carboxamide

C14H23N5O2 — CID 56882213

IUPACN-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]morpholine-2-carboxamide
SMILESO=C(NCc1nncn1C1CCCCC1)C1CNCCO1
InChIInChI=1S/C14H23N5O2/c20-14(12-8-15-6-7-21-12)16-9-13-18-17-10-19(13)11-4-2-1-3-5-11/h10-12,15H,1-9H2,(H,16,20)
InChIKeyYFEDDNWKMORMAA-UHFFFAOYSA-N
MW293.37 g/mol
LogP0.39
Rot. Bonds4

About N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]morpholine-2-carboxamide

N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]morpholine-2-carboxamide (PubChem CID 56882213) has the molecular formula C14H23N5O2 and a molecular weight of 293.37 g/mol. Its IUPAC name is N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]morpholine-2-carboxamide.

Molecular Properties

Compound NameN-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]morpholine-2-carboxamide
PubChem CID56882213
Molecular FormulaC14H23N5O2
Molecular Weight293.37 g/mol
Exact Mass293.19
IUPAC NameN-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]morpholine-2-carboxamide
SMILESO=C(NCc1nncn1C1CCCCC1)C1CNCCO1
InChIInChI=1S/C14H23N5O2/c20-14(12-8-15-6-7-21-12)16-9-13-18-17-10-19(13)11-4-2-1-3-5-11/h10-12,15H,1-9H2,(H,16,20)
InChIKeyYFEDDNWKMORMAA-UHFFFAOYSA-N
XLogP0.39
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-cyclohexyl-4H-1,2,4-triazol-3-yl)methyl]-1-(methoxyacetyl)-3-piperidinecarboxamide
CID 72857355
3-[rac-(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[1-(4-ethyl-4H-1,2,4-triazol-3-yl)ethyl]propanamide formate
CID 131935851
N-cyclopentyl-3-{2-[[(4-ethyl-4H-1,2,4-triazol-3-yl)methyl](methyl)amino]-2-oxoethyl}-4-morpholinecarboxamide
CID 56912383
2-butoxy-N-[(4-cyclohexyl-4H-1,2,4-triazol-3-yl)methyl]acetamide
CID 91791310
N-[1-(4-cyclopentyl-4H-1,2,4-triazol-3-yl)ethyl]-3-morpholin-4-ylpropanamide
CID 118793838
N4-{2-ethyl-5H,6H,7H,8H-[1,2,4]triazolo[1,5-a]pyridin-8-yl}-N2-methylmorpholine-2,4-dicarboxamide
CID 132305343
N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2-propan-2-yloxyacetamide
CID 48158747
2-[(4-Methyl-1,2,4-triazol-3-yl)methylamino]-1-morpholin-4-ylpropan-1-one
CID 55037923
N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]morpholine-2-carboxamide
CID 55202676
N~4~-cyclohexyl-N~2~-[2-(4-ethyl-4H-1,2,4-triazol-3-yl)ethyl]-2,4-morpholinedicarboxamide
CID 56894270
2-ethoxy-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]acetamide
CID 61217144
N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]morpholine-2-carboxamide
CID 61736701

Frequently Asked Questions

What is the IUPAC name of N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]morpholine-2-carboxamide?
The IUPAC name of N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]morpholine-2-carboxamide (CID 56882213) is N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]morpholine-2-carboxamide.
What is the SMILES notation for N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]morpholine-2-carboxamide?
The canonical SMILES for N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]morpholine-2-carboxamide is O=C(NCc1nncn1C1CCCCC1)C1CNCCO1.
What is the InChIKey of N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]morpholine-2-carboxamide?
The InChIKey is YFEDDNWKMORMAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O2/c20-14(12-8-15-6-7-21-12)16-9-13-18-17-10-19(13)11-4-2-1-3-5-11/h10-12,15H,1-9H2,(H,16,20).
What are the key properties of N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]morpholine-2-carboxamide?
N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]morpholine-2-carboxamide has a molecular weight of 293.37 g/mol, XLogP of 0.39, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]morpholine-2-carboxamide is sourced from PubChem (CID 56882213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).