N-[5-[3-(difluoromethoxy)phenyl]-1H-1,2,4-triazol-3-yl]-3,4-dihydro-2H-pyran-5-carboxamide

C15H14F2N4O3 — CID 167768613

IUPACN-[5-[3-(difluoromethoxy)phenyl]-1H-1,2,4-triazol-3-yl]-3,4-dihydro-2H-pyran-5-carboxamide
SMILESO=C(Nc1n[nH]c(-c2cccc(OC(F)F)c2)n1)C1=COCCC1
InChIInChI=1S/C15H14F2N4O3/c16-14(17)24-11-5-1-3-9(7-11)12-18-15(21-20-12)19-13(22)10-4-2-6-23-8-10/h1,3,5,7-8,14H,2,4,6H2,(H2,18,19,20,21,22)
InChIKeyZVCNSPPCKKDGIU-UHFFFAOYSA-N
MW336.30 g/mol
LogP2.71
Rot. Bonds5

About N-[5-[3-(difluoromethoxy)phenyl]-1H-1,2,4-triazol-3-yl]-3,4-dihydro-2H-pyran-5-carboxamide

N-[5-[3-(difluoromethoxy)phenyl]-1H-1,2,4-triazol-3-yl]-3,4-dihydro-2H-pyran-5-carboxamide (PubChem CID 167768613) has the molecular formula C15H14F2N4O3 and a molecular weight of 336.30 g/mol. Its IUPAC name is N-[5-[3-(difluoromethoxy)phenyl]-1H-1,2,4-triazol-3-yl]-3,4-dihydro-2H-pyran-5-carboxamide.

Molecular Properties

Compound NameN-[5-[3-(difluoromethoxy)phenyl]-1H-1,2,4-triazol-3-yl]-3,4-dihydro-2H-pyran-5-carboxamide
PubChem CID167768613
Molecular FormulaC15H14F2N4O3
Molecular Weight336.30 g/mol
Exact Mass336.10
IUPAC NameN-[5-[3-(difluoromethoxy)phenyl]-1H-1,2,4-triazol-3-yl]-3,4-dihydro-2H-pyran-5-carboxamide
SMILESO=C(Nc1n[nH]c(-c2cccc(OC(F)F)c2)n1)C1=COCCC1
InChIInChI=1S/C15H14F2N4O3/c16-14(17)24-11-5-1-3-9(7-11)12-18-15(21-20-12)19-13(22)10-4-2-6-23-8-10/h1,3,5,7-8,14H,2,4,6H2,(H2,18,19,20,21,22)
InChIKeyZVCNSPPCKKDGIU-UHFFFAOYSA-N
XLogP2.71
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.30
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-[3-(difluoromethoxy)phenyl]-1H-1,2,4-triazol-3-yl]oxolane-2-carboxamide
CID 126803992
5-[3-(difluoromethoxy)phenyl]-1H-1,2,4-triazole
CID 90945795
(2S)-N-[5-(4-fluorophenyl)-1H-1,2,4-triazol-3-yl]-2-(3-methylphenoxy)propanamide
CID 9246906
N-[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]naphthalene-2-carboxamide
CID 9247075
3-chloro-N-(5-phenyl-1H-1,2,4-triazol-3-yl)benzamide
CID 17410284
1,5-dimethyl-N-[5-(3-nitrophenyl)-1H-1,2,4-triazol-3-yl]pyrazole-4-carboxamide
CID 71919927
4-[5-(3-propan-2-yloxyphenyl)-1H-1,2,4-triazol-3-yl]morpholine
CID 157015654
N-[5-(4-fluorophenyl)-1H-1,2,4-triazol-3-yl]-2-phenoxyacetamide
CID 9246778
4-(difluoromethoxy)-3-methoxy-N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]benzamide
CID 55646276
N-[5-(2,3-dihydro-1H-inden-5-yl)-1H-1,2,4-triazol-3-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 75373131
2-benzyl-N-[5-(3-nitrophenyl)-1H-1,2,4-triazol-3-yl]cyclopentane-1-carboxamide
CID 167784360
4-[3-(difluoromethoxy)phenyl]-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazole
CID 62946114

Frequently Asked Questions

What is the IUPAC name of N-[5-[3-(difluoromethoxy)phenyl]-1H-1,2,4-triazol-3-yl]-3,4-dihydro-2H-pyran-5-carboxamide?
The IUPAC name of N-[5-[3-(difluoromethoxy)phenyl]-1H-1,2,4-triazol-3-yl]-3,4-dihydro-2H-pyran-5-carboxamide (CID 167768613) is N-[5-[3-(difluoromethoxy)phenyl]-1H-1,2,4-triazol-3-yl]-3,4-dihydro-2H-pyran-5-carboxamide.
What is the SMILES notation for N-[5-[3-(difluoromethoxy)phenyl]-1H-1,2,4-triazol-3-yl]-3,4-dihydro-2H-pyran-5-carboxamide?
The canonical SMILES for N-[5-[3-(difluoromethoxy)phenyl]-1H-1,2,4-triazol-3-yl]-3,4-dihydro-2H-pyran-5-carboxamide is O=C(Nc1n[nH]c(-c2cccc(OC(F)F)c2)n1)C1=COCCC1.
What is the InChIKey of N-[5-[3-(difluoromethoxy)phenyl]-1H-1,2,4-triazol-3-yl]-3,4-dihydro-2H-pyran-5-carboxamide?
The InChIKey is ZVCNSPPCKKDGIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2N4O3/c16-14(17)24-11-5-1-3-9(7-11)12-18-15(21-20-12)19-13(22)10-4-2-6-23-8-10/h1,3,5,7-8,14H,2,4,6H2,(H2,18,19,20,21,22).
What are the key properties of N-[5-[3-(difluoromethoxy)phenyl]-1H-1,2,4-triazol-3-yl]-3,4-dihydro-2H-pyran-5-carboxamide?
N-[5-[3-(difluoromethoxy)phenyl]-1H-1,2,4-triazol-3-yl]-3,4-dihydro-2H-pyran-5-carboxamide has a molecular weight of 336.30 g/mol, XLogP of 2.71, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[3-(difluoromethoxy)phenyl]-1H-1,2,4-triazol-3-yl]-3,4-dihydro-2H-pyran-5-carboxamide is sourced from PubChem (CID 167768613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).