N-[3-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-1-morpholin-4-ylcyclohexane-1-carboxamide

C19H31N5O3 — CID 91770958

IUPACN-[3-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-1-morpholin-4-ylcyclohexane-1-carboxamide
SMILESCn1c(CO)nnc1C1CC(NC(=O)C2(N3CCOCC3)CCCCC2)C1
InChIInChI=1S/C19H31N5O3/c1-23-16(13-25)21-22-17(23)14-11-15(12-14)20-18(26)19(5-3-2-4-6-19)24-7-9-27-10-8-24/h14-15,25H,2-13H2,1H3,(H,20,26)
InChIKeyZMYPDFAMGFCTPE-UHFFFAOYSA-N
MW377.49 g/mol
LogP0.70
Rot. Bonds5

About N-[3-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-1-morpholin-4-ylcyclohexane-1-carboxamide

N-[3-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-1-morpholin-4-ylcyclohexane-1-carboxamide (PubChem CID 91770958) has the molecular formula C19H31N5O3 and a molecular weight of 377.49 g/mol. Its IUPAC name is N-[3-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-1-morpholin-4-ylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[3-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-1-morpholin-4-ylcyclohexane-1-carboxamide
PubChem CID91770958
Molecular FormulaC19H31N5O3
Molecular Weight377.49 g/mol
Exact Mass377.24
IUPAC NameN-[3-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-1-morpholin-4-ylcyclohexane-1-carboxamide
SMILESCn1c(CO)nnc1C1CC(NC(=O)C2(N3CCOCC3)CCCCC2)C1
InChIInChI=1S/C19H31N5O3/c1-23-16(13-25)21-22-17(23)14-11-15(12-14)20-18(26)19(5-3-2-4-6-19)24-7-9-27-10-8-24/h14-15,25H,2-13H2,1H3,(H,20,26)
InChIKeyZMYPDFAMGFCTPE-UHFFFAOYSA-N
XLogP0.70
TPSA92.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[3-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-1-morpholin-4-ylcyclohexane-1-carboxamide?
The IUPAC name of N-[3-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-1-morpholin-4-ylcyclohexane-1-carboxamide (CID 91770958) is N-[3-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-1-morpholin-4-ylcyclohexane-1-carboxamide.
What is the SMILES notation for N-[3-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-1-morpholin-4-ylcyclohexane-1-carboxamide?
The canonical SMILES for N-[3-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-1-morpholin-4-ylcyclohexane-1-carboxamide is Cn1c(CO)nnc1C1CC(NC(=O)C2(N3CCOCC3)CCCCC2)C1.
What is the InChIKey of N-[3-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-1-morpholin-4-ylcyclohexane-1-carboxamide?
The InChIKey is ZMYPDFAMGFCTPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N5O3/c1-23-16(13-25)21-22-17(23)14-11-15(12-14)20-18(26)19(5-3-2-4-6-19)24-7-9-27-10-8-24/h14-15,25H,2-13H2,1H3,(H,20,26).
What are the key properties of N-[3-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-1-morpholin-4-ylcyclohexane-1-carboxamide?
N-[3-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-1-morpholin-4-ylcyclohexane-1-carboxamide has a molecular weight of 377.49 g/mol, XLogP of 0.70, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-1-morpholin-4-ylcyclohexane-1-carboxamide is sourced from PubChem (CID 91770958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).