N-[3-[5-amino-4-(morpholine-4-carbonyl)triazol-1-yl]phenyl]furan-2-carboxamide

C18H18N6O4 — CID 43819269

IUPACN-[3-[5-amino-4-(morpholine-4-carbonyl)triazol-1-yl]phenyl]furan-2-carboxamide
SMILESNc1c(C(=O)N2CCOCC2)nnn1-c1cccc(NC(=O)c2ccco2)c1
InChIInChI=1S/C18H18N6O4/c19-16-15(18(26)23-6-9-27-10-7-23)21-22-24(16)13-4-1-3-12(11-13)20-17(25)14-5-2-8-28-14/h1-5,8,11H,6-7,9-10,19H2,(H,20,25)
InChIKeyUAFNOTJDKOKJFC-UHFFFAOYSA-N
MW382.38 g/mol
LogP1.17
Rot. Bonds4

About N-[3-[5-amino-4-(morpholine-4-carbonyl)triazol-1-yl]phenyl]furan-2-carboxamide

N-[3-[5-amino-4-(morpholine-4-carbonyl)triazol-1-yl]phenyl]furan-2-carboxamide (PubChem CID 43819269) has the molecular formula C18H18N6O4 and a molecular weight of 382.38 g/mol. Its IUPAC name is N-[3-[5-amino-4-(morpholine-4-carbonyl)triazol-1-yl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-[5-amino-4-(morpholine-4-carbonyl)triazol-1-yl]phenyl]furan-2-carboxamide
PubChem CID43819269
Molecular FormulaC18H18N6O4
Molecular Weight382.38 g/mol
Exact Mass382.14
IUPAC NameN-[3-[5-amino-4-(morpholine-4-carbonyl)triazol-1-yl]phenyl]furan-2-carboxamide
SMILESNc1c(C(=O)N2CCOCC2)nnn1-c1cccc(NC(=O)c2ccco2)c1
InChIInChI=1S/C18H18N6O4/c19-16-15(18(26)23-6-9-27-10-7-23)21-22-24(16)13-4-1-3-12(11-13)20-17(25)14-5-2-8-28-14/h1-5,8,11H,6-7,9-10,19H2,(H,20,25)
InChIKeyUAFNOTJDKOKJFC-UHFFFAOYSA-N
XLogP1.17
TPSA128.51 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.38
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

[5-amino-1-(3-methylsulfanylphenyl)triazol-4-yl]-morpholin-4-ylmethanone
CID 6498420
N-[3-[5-amino-4-(morpholine-4-carbonyl)triazol-1-yl]phenyl]-4-methoxybenzenesulfonamide
CID 17039323
N-[3-[5-amino-4-(morpholine-4-carbonyl)triazol-1-yl]phenyl]-6-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide
CID 17039324
5-methyl-N-[3-(morpholine-4-carbonyl)phenyl]-1-(3-nitrophenyl)triazole-4-carboxamide
CID 55797238
N-(3-carbamoyl-4-morpholin-4-ylphenyl)furan-2-carboxamide
CID 886010
N-[[3-(furan-2-carbonylamino)phenyl]methyl]-4-phenylpiperazine-1-carboxamide
CID 35668689
N-[3-(4-hydroxypiperidine-1-carbonyl)phenyl]furan-2-carboxamide
CID 110897057
1-(3-methoxyphenyl)-5-methyl-N-(3-morpholin-4-ylphenyl)triazole-4-carboxamide
CID 55952566
N-[3-(furan-2-carbonylamino)phenyl]-1-phenyltriazole-4-carboxamide
CID 46576505
N-[4-[4-(2-morpholin-4-ylacetyl)piperazine-1-carbonyl]phenyl]furan-2-carboxamide
CID 43038549
N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]furan-2-carboxamide
CID 858393
N-[4-[4-(3-fluorobenzoyl)piperazin-1-yl]-3-(morpholine-4-carbonyl)phenyl]furan-2-carboxamide
CID 42678329

Frequently Asked Questions

What is the IUPAC name of N-[3-[5-amino-4-(morpholine-4-carbonyl)triazol-1-yl]phenyl]furan-2-carboxamide?
The IUPAC name of N-[3-[5-amino-4-(morpholine-4-carbonyl)triazol-1-yl]phenyl]furan-2-carboxamide (CID 43819269) is N-[3-[5-amino-4-(morpholine-4-carbonyl)triazol-1-yl]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-[5-amino-4-(morpholine-4-carbonyl)triazol-1-yl]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[3-[5-amino-4-(morpholine-4-carbonyl)triazol-1-yl]phenyl]furan-2-carboxamide is Nc1c(C(=O)N2CCOCC2)nnn1-c1cccc(NC(=O)c2ccco2)c1.
What is the InChIKey of N-[3-[5-amino-4-(morpholine-4-carbonyl)triazol-1-yl]phenyl]furan-2-carboxamide?
The InChIKey is UAFNOTJDKOKJFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6O4/c19-16-15(18(26)23-6-9-27-10-7-23)21-22-24(16)13-4-1-3-12(11-13)20-17(25)14-5-2-8-28-14/h1-5,8,11H,6-7,9-10,19H2,(H,20,25).
What are the key properties of N-[3-[5-amino-4-(morpholine-4-carbonyl)triazol-1-yl]phenyl]furan-2-carboxamide?
N-[3-[5-amino-4-(morpholine-4-carbonyl)triazol-1-yl]phenyl]furan-2-carboxamide has a molecular weight of 382.38 g/mol, XLogP of 1.17, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-amino-4-(morpholine-4-carbonyl)triazol-1-yl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 43819269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).