N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]oxane-4-carboxamide

C16H27N5O2 — CID 91766462

IUPACN-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]oxane-4-carboxamide
SMILESCN(C)Cc1nnc(C2CC(NC(=O)C3CCOCC3)C2)n1C
InChIInChI=1S/C16H27N5O2/c1-20(2)10-14-18-19-15(21(14)3)12-8-13(9-12)17-16(22)11-4-6-23-7-5-11/h11-13H,4-10H2,1-3H3,(H,17,22)
InChIKeyQKJAUOLDQSQHNZ-UHFFFAOYSA-N
MW321.43 g/mol
LogP0.67
Rot. Bonds5

About N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]oxane-4-carboxamide

N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]oxane-4-carboxamide (PubChem CID 91766462) has the molecular formula C16H27N5O2 and a molecular weight of 321.43 g/mol. Its IUPAC name is N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]oxane-4-carboxamide.

Molecular Properties

Compound NameN-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]oxane-4-carboxamide
PubChem CID91766462
Molecular FormulaC16H27N5O2
Molecular Weight321.43 g/mol
Exact Mass321.22
IUPAC NameN-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]oxane-4-carboxamide
SMILESCN(C)Cc1nnc(C2CC(NC(=O)C3CCOCC3)C2)n1C
InChIInChI=1S/C16H27N5O2/c1-20(2)10-14-18-19-15(21(14)3)12-8-13(9-12)17-16(22)11-4-6-23-7-5-11/h11-13H,4-10H2,1-3H3,(H,17,22)
InChIKeyQKJAUOLDQSQHNZ-UHFFFAOYSA-N
XLogP0.67
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.43
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[rel-(3R,4S)-4-isopropyl-1-(tetrahydro-2H-pyran-4-yl)-3-pyrrolidinyl]-3-(4-methyl-4H-1,2,4-triazol-3-yl)propanamide hydrochloride
CID 72887784
4-cyano-N-(cis-3-{5-[(dimethylamino)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}cyclobutyl)tetrahydro-2H-pyran-4-carboxamide
CID 91778168
N-[(3S,4S)-1-isobutyl-4-(3-methyl-1H-1,2,4-triazol-5-yl)hexahydro-3-pyridinyl]tetrahydro-2H-pyran-4-carboxamide
CID 91921051
N-[(3S,4S)-1-(2-ethylbutyl)-4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-3-yl]oxane-4-carboxamide
CID 91921071
N-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]butanamide
CID 75504256
N-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]oxane-3-carboxamide
CID 86792835
N-{1-[7-(2-ethylbutyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl]ethyl}tetrahydro-2H-pyran-4-carboxamide
CID 45206065
N-(trans-3-{5-[(4-butylpiperazin-1-yl)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}cyclobutyl)acetamide
CID 91767838
[cis-3-(4-ethyl-5-{[4-(piperidin-1-ylcarbonyl)piperidin-1-yl]methyl}-4H-1,2,4-triazol-3-yl)cyclobutyl]amine
CID 91777536
1-[(1-{[5-(cis-3-aminocyclobutyl)-4-ethyl-4H-1,2,4-triazol-3-yl]methyl}piperidin-4-yl)methyl]pyrrolidin-2-one
CID 91789480
N-[1-[7-(2-methylpropyl)-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl]ethyl]oxane-4-carboxamide
CID 126463959
2-methyl-1-[7-(5-methyl-1H-1,2,4-triazol-3-yl)-4-(oxane-4-carbonyl)-1,4-diazepan-1-yl]propan-1-one
CID 132336383

Frequently Asked Questions

What is the IUPAC name of N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]oxane-4-carboxamide?
The IUPAC name of N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]oxane-4-carboxamide (CID 91766462) is N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]oxane-4-carboxamide.
What is the SMILES notation for N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]oxane-4-carboxamide?
The canonical SMILES for N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]oxane-4-carboxamide is CN(C)Cc1nnc(C2CC(NC(=O)C3CCOCC3)C2)n1C.
What is the InChIKey of N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]oxane-4-carboxamide?
The InChIKey is QKJAUOLDQSQHNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5O2/c1-20(2)10-14-18-19-15(21(14)3)12-8-13(9-12)17-16(22)11-4-6-23-7-5-11/h11-13H,4-10H2,1-3H3,(H,17,22).
What are the key properties of N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]oxane-4-carboxamide?
N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]oxane-4-carboxamide has a molecular weight of 321.43 g/mol, XLogP of 0.67, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]oxane-4-carboxamide is sourced from PubChem (CID 91766462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).