1-(2-amino-2-oxoethyl)-N-(2-cyclohexyl-2-hydroxypropyl)triazole-4-carboxamide

C14H23N5O3 — CID 126785756

IUPAC1-(2-amino-2-oxoethyl)-N-(2-cyclohexyl-2-hydroxypropyl)triazole-4-carboxamide
SMILESCC(O)(CNC(=O)c1cn(CC(N)=O)nn1)C1CCCCC1
InChIInChI=1S/C14H23N5O3/c1-14(22,10-5-3-2-4-6-10)9-16-13(21)11-7-19(18-17-11)8-12(15)20/h7,10,22H,2-6,8-9H2,1H3,(H2,15,20)(H,16,21)
InChIKeyIPRIVFPXTYRMQL-UHFFFAOYSA-N
MW309.37 g/mol
LogP-0.18
Rot. Bonds6

About 1-(2-amino-2-oxoethyl)-N-(2-cyclohexyl-2-hydroxypropyl)triazole-4-carboxamide

1-(2-amino-2-oxoethyl)-N-(2-cyclohexyl-2-hydroxypropyl)triazole-4-carboxamide (PubChem CID 126785756) has the molecular formula C14H23N5O3 and a molecular weight of 309.37 g/mol. Its IUPAC name is 1-(2-amino-2-oxoethyl)-N-(2-cyclohexyl-2-hydroxypropyl)triazole-4-carboxamide.

Molecular Properties

Compound Name1-(2-amino-2-oxoethyl)-N-(2-cyclohexyl-2-hydroxypropyl)triazole-4-carboxamide
PubChem CID126785756
Molecular FormulaC14H23N5O3
Molecular Weight309.37 g/mol
Exact Mass309.18
IUPAC Name1-(2-amino-2-oxoethyl)-N-(2-cyclohexyl-2-hydroxypropyl)triazole-4-carboxamide
SMILESCC(O)(CNC(=O)c1cn(CC(N)=O)nn1)C1CCCCC1
InChIInChI=1S/C14H23N5O3/c1-14(22,10-5-3-2-4-6-10)9-16-13(21)11-7-19(18-17-11)8-12(15)20/h7,10,22H,2-6,8-9H2,1H3,(H2,15,20)(H,16,21)
InChIKeyIPRIVFPXTYRMQL-UHFFFAOYSA-N
XLogP-0.18
TPSA123.13 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 5-0.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-2-oxoethyl)-N-(2-cyclohexyl-2-hydroxypropyl)triazole-4-carboxamide?
The IUPAC name of 1-(2-amino-2-oxoethyl)-N-(2-cyclohexyl-2-hydroxypropyl)triazole-4-carboxamide (CID 126785756) is 1-(2-amino-2-oxoethyl)-N-(2-cyclohexyl-2-hydroxypropyl)triazole-4-carboxamide.
What is the SMILES notation for 1-(2-amino-2-oxoethyl)-N-(2-cyclohexyl-2-hydroxypropyl)triazole-4-carboxamide?
The canonical SMILES for 1-(2-amino-2-oxoethyl)-N-(2-cyclohexyl-2-hydroxypropyl)triazole-4-carboxamide is CC(O)(CNC(=O)c1cn(CC(N)=O)nn1)C1CCCCC1.
What is the InChIKey of 1-(2-amino-2-oxoethyl)-N-(2-cyclohexyl-2-hydroxypropyl)triazole-4-carboxamide?
The InChIKey is IPRIVFPXTYRMQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O3/c1-14(22,10-5-3-2-4-6-10)9-16-13(21)11-7-19(18-17-11)8-12(15)20/h7,10,22H,2-6,8-9H2,1H3,(H2,15,20)(H,16,21).
What are the key properties of 1-(2-amino-2-oxoethyl)-N-(2-cyclohexyl-2-hydroxypropyl)triazole-4-carboxamide?
1-(2-amino-2-oxoethyl)-N-(2-cyclohexyl-2-hydroxypropyl)triazole-4-carboxamide has a molecular weight of 309.37 g/mol, XLogP of -0.18, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-2-oxoethyl)-N-(2-cyclohexyl-2-hydroxypropyl)triazole-4-carboxamide is sourced from PubChem (CID 126785756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).