N-[3-[(3-ethoxy-1H-1,2,4-triazol-5-yl)amino]-3-oxopropyl]furan-2-carboxamide

C12H15N5O4 — CID 104817180

IUPACN-[3-[(3-ethoxy-1H-1,2,4-triazol-5-yl)amino]-3-oxopropyl]furan-2-carboxamide
SMILESCCOc1n[nH]c(NC(=O)CCNC(=O)c2ccco2)n1
InChIInChI=1S/C12H15N5O4/c1-2-20-12-15-11(16-17-12)14-9(18)5-6-13-10(19)8-4-3-7-21-8/h3-4,7H,2,5-6H2,1H3,(H,13,19)(H2,14,15,16,17,18)
InChIKeyPKJDHXZOQGJSCN-UHFFFAOYSA-N
MW293.28 g/mol
LogP0.56
Rot. Bonds7

About N-[3-[(3-ethoxy-1H-1,2,4-triazol-5-yl)amino]-3-oxopropyl]furan-2-carboxamide

N-[3-[(3-ethoxy-1H-1,2,4-triazol-5-yl)amino]-3-oxopropyl]furan-2-carboxamide (PubChem CID 104817180) has the molecular formula C12H15N5O4 and a molecular weight of 293.28 g/mol. Its IUPAC name is N-[3-[(3-ethoxy-1H-1,2,4-triazol-5-yl)amino]-3-oxopropyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-[(3-ethoxy-1H-1,2,4-triazol-5-yl)amino]-3-oxopropyl]furan-2-carboxamide
PubChem CID104817180
Molecular FormulaC12H15N5O4
Molecular Weight293.28 g/mol
Exact Mass293.11
IUPAC NameN-[3-[(3-ethoxy-1H-1,2,4-triazol-5-yl)amino]-3-oxopropyl]furan-2-carboxamide
SMILESCCOc1n[nH]c(NC(=O)CCNC(=O)c2ccco2)n1
InChIInChI=1S/C12H15N5O4/c1-2-20-12-15-11(16-17-12)14-9(18)5-6-13-10(19)8-4-3-7-21-8/h3-4,7H,2,5-6H2,1H3,(H,13,19)(H2,14,15,16,17,18)
InChIKeyPKJDHXZOQGJSCN-UHFFFAOYSA-N
XLogP0.56
TPSA122.14 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.28
LogP ≤ 50.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

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N-[3-(3,4-dipropoxyanilino)-3-oxopropyl]furan-2-carboxamide
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N-[3-[[4-[(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]-1,3-thiazol-2-yl]amino]-3-oxopropyl]furan-2-carboxamide
CID 46579420
N-[3-[(1-hydroxy-2-methylbutan-2-yl)amino]-3-oxopropyl]furan-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[3-[(3-ethoxy-1H-1,2,4-triazol-5-yl)amino]-3-oxopropyl]furan-2-carboxamide?
The IUPAC name of N-[3-[(3-ethoxy-1H-1,2,4-triazol-5-yl)amino]-3-oxopropyl]furan-2-carboxamide (CID 104817180) is N-[3-[(3-ethoxy-1H-1,2,4-triazol-5-yl)amino]-3-oxopropyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-[(3-ethoxy-1H-1,2,4-triazol-5-yl)amino]-3-oxopropyl]furan-2-carboxamide?
The canonical SMILES for N-[3-[(3-ethoxy-1H-1,2,4-triazol-5-yl)amino]-3-oxopropyl]furan-2-carboxamide is CCOc1n[nH]c(NC(=O)CCNC(=O)c2ccco2)n1.
What is the InChIKey of N-[3-[(3-ethoxy-1H-1,2,4-triazol-5-yl)amino]-3-oxopropyl]furan-2-carboxamide?
The InChIKey is PKJDHXZOQGJSCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O4/c1-2-20-12-15-11(16-17-12)14-9(18)5-6-13-10(19)8-4-3-7-21-8/h3-4,7H,2,5-6H2,1H3,(H,13,19)(H2,14,15,16,17,18).
What are the key properties of N-[3-[(3-ethoxy-1H-1,2,4-triazol-5-yl)amino]-3-oxopropyl]furan-2-carboxamide?
N-[3-[(3-ethoxy-1H-1,2,4-triazol-5-yl)amino]-3-oxopropyl]furan-2-carboxamide has a molecular weight of 293.28 g/mol, XLogP of 0.56, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3-ethoxy-1H-1,2,4-triazol-5-yl)amino]-3-oxopropyl]furan-2-carboxamide is sourced from PubChem (CID 104817180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).