N-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]formamide

C14H16N4O2 — CID 169179205

IUPACN-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]formamide
SMILESCn1cnnc1CC1(c2cccc(NC=O)c2)COC1
InChIInChI=1S/C14H16N4O2/c1-18-9-16-17-13(18)6-14(7-20-8-14)11-3-2-4-12(5-11)15-10-19/h2-5,9-10H,6-8H2,1H3,(H,15,19)
InChIKeyZAQGPWJOHSNOSR-UHFFFAOYSA-N
MW272.31 g/mol
LogP0.89
Rot. Bonds5

About N-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]formamide

N-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]formamide (PubChem CID 169179205) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is N-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]formamide.

Molecular Properties

Compound NameN-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]formamide
PubChem CID169179205
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC NameN-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]formamide
SMILESCn1cnnc1CC1(c2cccc(NC=O)c2)COC1
InChIInChI=1S/C14H16N4O2/c1-18-9-16-17-13(18)6-14(7-20-8-14)11-3-2-4-12(5-11)15-10-19/h2-5,9-10H,6-8H2,1H3,(H,15,19)
InChIKeyZAQGPWJOHSNOSR-UHFFFAOYSA-N
XLogP0.89
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-methyl-3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]aniline
CID 139361012
5-methyl-N-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 139349960
N-[[5-fluoro-3-(trifluoromethyl)-2-pyridinyl]methyl]-3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]aniline
CID 167186646
4-(2-hydroxyethyl)-N-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 164869488
2-[6-[[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]anilino]methyl]-5-(trifluoromethyl)-3-pyridinyl]propan-2-ol
CID 171752999
2-(2-methylpyrazol-3-yl)-5-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]-1,3,4-thiadiazole
CID 166557351
7-bromo-2-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]-3-oxo-1H-isoindole-5-carbaldehyde
CID 139349839
6-cyclopropyl-4-(difluoromethoxy)-N-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]pyridine-2-carboxamide
CID 139349712
N-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]spiro[2H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-1-carboxamide
CID 155597141
2-methyl-1-[[6-[[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]anilino]methyl]-5-(trifluoromethyl)-3-pyridinyl]oxy]propan-2-ol
CID 166079478
4-(5-azaspiro[2.4]heptan-5-ylmethyl)-N-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 164869406
2-cyclopropyl-6-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]-N-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]pyrimidine-4-carboxamide
CID 139350106

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]formamide?
The IUPAC name of N-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]formamide (CID 169179205) is N-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]formamide.
What is the SMILES notation for N-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]formamide?
The canonical SMILES for N-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]formamide is Cn1cnnc1CC1(c2cccc(NC=O)c2)COC1.
What is the InChIKey of N-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]formamide?
The InChIKey is ZAQGPWJOHSNOSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c1-18-9-16-17-13(18)6-14(7-20-8-14)11-3-2-4-12(5-11)15-10-19/h2-5,9-10H,6-8H2,1H3,(H,15,19).
What are the key properties of N-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]formamide?
N-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]formamide has a molecular weight of 272.31 g/mol, XLogP of 0.89, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]formamide is sourced from PubChem (CID 169179205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).