N-[3-[4-ethyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-1-methylcyclopropane-1-carboxamide

C14H22N4O2 — CID 91761447

IUPACN-[3-[4-ethyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-1-methylcyclopropane-1-carboxamide
SMILESCCn1c(CO)nnc1C1CC(NC(=O)C2(C)CC2)C1
InChIInChI=1S/C14H22N4O2/c1-3-18-11(8-19)16-17-12(18)9-6-10(7-9)15-13(20)14(2)4-5-14/h9-10,19H,3-8H2,1-2H3,(H,15,20)
InChIKeyLQRIGCRPVKKCAU-UHFFFAOYSA-N
MW278.36 g/mol
LogP0.95
Rot. Bonds5

About N-[3-[4-ethyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-1-methylcyclopropane-1-carboxamide

N-[3-[4-ethyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-1-methylcyclopropane-1-carboxamide (PubChem CID 91761447) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is N-[3-[4-ethyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-1-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[3-[4-ethyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-1-methylcyclopropane-1-carboxamide
PubChem CID91761447
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC NameN-[3-[4-ethyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-1-methylcyclopropane-1-carboxamide
SMILESCCn1c(CO)nnc1C1CC(NC(=O)C2(C)CC2)C1
InChIInChI=1S/C14H22N4O2/c1-3-18-11(8-19)16-17-12(18)9-6-10(7-9)15-13(20)14(2)4-5-14/h9-10,19H,3-8H2,1-2H3,(H,15,20)
InChIKeyLQRIGCRPVKKCAU-UHFFFAOYSA-N
XLogP0.95
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[3-[4-ethyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-1-methylcyclopropane-1-carboxamide with MolForge

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Related Compounds

N-{cis-3-[5-(hydroxymethyl)-4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]cyclobutyl}-1-methylcyclopentanecarboxamide
CID 91763115
N-cyclopentyl-N'-{cis-3-[4-cyclopropyl-5-(hydroxymethyl)-4H-1,2,4-triazol-3-yl]cyclobutyl}urea
CID 91762111
N-{cis-3-[4-ethyl-5-(hydroxymethyl)-4H-1,2,4-triazol-3-yl]cyclobutyl}-2-morpholin-4-ylacetamide
CID 91785428
N-{cis-3-[5-(hydroxymethyl)-4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]cyclobutyl}-1-methylcyclohexanecarboxamide
CID 91792539
N-{trans-3-[5-(hydroxymethyl)-4-methyl-4H-1,2,4-triazol-3-yl]cyclobutyl}-2-(2,2,3,3-tetrafluoropropoxy)acetamide
CID 91769826
N-{cis-3-[4-cyclopropyl-5-(hydroxymethyl)-4H-1,2,4-triazol-3-yl]cyclobutyl}-2-isopropoxyacetamide
CID 91764439
N-cyclopropyl-4-[3-(hydroxymethyl)-1,2,4-triazol-4-yl]butanamide
CID 81666239
N-[1-({4-[5-(hydroxymethyl)-4-methyl-4H-1,2,4-triazol-3-yl]piperidin-1-yl}carbonyl)butyl]acetamide
CID 90652202
N-{trans-3-[4-cyclopropyl-5-(hydroxymethyl)-4H-1,2,4-triazol-3-yl]cyclobutyl}-3-(6-oxo-1,4,5,6-tetrahydropyridazin-3-yl)propanamide
CID 91760022
N-{trans-3-[5-(hydroxymethyl)-4-methyl-4H-1,2,4-triazol-3-yl]cyclobutyl}-3-(1,2-oxazinan-2-yl)propanamide
CID 91760265
N-cyclopentyl-N'-{cis-3-[5-(hydroxymethyl)-4-methyl-4H-1,2,4-triazol-3-yl]cyclobutyl}urea
CID 91761533
N-{trans-3-[5-(hydroxymethyl)-4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]cyclobutyl}-2-(2-oxopiperidin-1-yl)acetamide
CID 91761764

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-ethyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-1-methylcyclopropane-1-carboxamide?
The IUPAC name of N-[3-[4-ethyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-1-methylcyclopropane-1-carboxamide (CID 91761447) is N-[3-[4-ethyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-1-methylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[3-[4-ethyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-1-methylcyclopropane-1-carboxamide?
The canonical SMILES for N-[3-[4-ethyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-1-methylcyclopropane-1-carboxamide is CCn1c(CO)nnc1C1CC(NC(=O)C2(C)CC2)C1.
What is the InChIKey of N-[3-[4-ethyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-1-methylcyclopropane-1-carboxamide?
The InChIKey is LQRIGCRPVKKCAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-3-18-11(8-19)16-17-12(18)9-6-10(7-9)15-13(20)14(2)4-5-14/h9-10,19H,3-8H2,1-2H3,(H,15,20).
What are the key properties of N-[3-[4-ethyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-1-methylcyclopropane-1-carboxamide?
N-[3-[4-ethyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-1-methylcyclopropane-1-carboxamide has a molecular weight of 278.36 g/mol, XLogP of 0.95, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-ethyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-1-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 91761447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).