N-(3-methoxy-1H-1,2,4-triazol-5-yl)-3-[5-(2-methylcyclopropyl)furan-2-yl]propanamide

C14H18N4O3 — CID 83097528

IUPACN-(3-methoxy-1H-1,2,4-triazol-5-yl)-3-[5-(2-methylcyclopropyl)furan-2-yl]propanamide
SMILESCOc1n[nH]c(NC(=O)CCc2ccc(C3CC3C)o2)n1
InChIInChI=1S/C14H18N4O3/c1-8-7-10(8)11-5-3-9(21-11)4-6-12(19)15-13-16-14(20-2)18-17-13/h3,5,8,10H,4,6-7H2,1-2H3,(H2,15,16,17,18,19)
InChIKeyYVDGYPSVHZDOGN-UHFFFAOYSA-N
MW290.32 g/mol
LogP2.10
Rot. Bonds6

About N-(3-methoxy-1H-1,2,4-triazol-5-yl)-3-[5-(2-methylcyclopropyl)furan-2-yl]propanamide

N-(3-methoxy-1H-1,2,4-triazol-5-yl)-3-[5-(2-methylcyclopropyl)furan-2-yl]propanamide (PubChem CID 83097528) has the molecular formula C14H18N4O3 and a molecular weight of 290.32 g/mol. Its IUPAC name is N-(3-methoxy-1H-1,2,4-triazol-5-yl)-3-[5-(2-methylcyclopropyl)furan-2-yl]propanamide.

Molecular Properties

Compound NameN-(3-methoxy-1H-1,2,4-triazol-5-yl)-3-[5-(2-methylcyclopropyl)furan-2-yl]propanamide
PubChem CID83097528
Molecular FormulaC14H18N4O3
Molecular Weight290.32 g/mol
Exact Mass290.14
IUPAC NameN-(3-methoxy-1H-1,2,4-triazol-5-yl)-3-[5-(2-methylcyclopropyl)furan-2-yl]propanamide
SMILESCOc1n[nH]c(NC(=O)CCc2ccc(C3CC3C)o2)n1
InChIInChI=1S/C14H18N4O3/c1-8-7-10(8)11-5-3-9(21-11)4-6-12(19)15-13-16-14(20-2)18-17-13/h3,5,8,10H,4,6-7H2,1-2H3,(H2,15,16,17,18,19)
InChIKeyYVDGYPSVHZDOGN-UHFFFAOYSA-N
XLogP2.10
TPSA93.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxy-1H-1,2,4-triazol-5-yl)-3-[5-(2-methylcyclopropyl)furan-2-yl]propanamide?
The IUPAC name of N-(3-methoxy-1H-1,2,4-triazol-5-yl)-3-[5-(2-methylcyclopropyl)furan-2-yl]propanamide (CID 83097528) is N-(3-methoxy-1H-1,2,4-triazol-5-yl)-3-[5-(2-methylcyclopropyl)furan-2-yl]propanamide.
What is the SMILES notation for N-(3-methoxy-1H-1,2,4-triazol-5-yl)-3-[5-(2-methylcyclopropyl)furan-2-yl]propanamide?
The canonical SMILES for N-(3-methoxy-1H-1,2,4-triazol-5-yl)-3-[5-(2-methylcyclopropyl)furan-2-yl]propanamide is COc1n[nH]c(NC(=O)CCc2ccc(C3CC3C)o2)n1.
What is the InChIKey of N-(3-methoxy-1H-1,2,4-triazol-5-yl)-3-[5-(2-methylcyclopropyl)furan-2-yl]propanamide?
The InChIKey is YVDGYPSVHZDOGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3/c1-8-7-10(8)11-5-3-9(21-11)4-6-12(19)15-13-16-14(20-2)18-17-13/h3,5,8,10H,4,6-7H2,1-2H3,(H2,15,16,17,18,19).
What are the key properties of N-(3-methoxy-1H-1,2,4-triazol-5-yl)-3-[5-(2-methylcyclopropyl)furan-2-yl]propanamide?
N-(3-methoxy-1H-1,2,4-triazol-5-yl)-3-[5-(2-methylcyclopropyl)furan-2-yl]propanamide has a molecular weight of 290.32 g/mol, XLogP of 2.10, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxy-1H-1,2,4-triazol-5-yl)-3-[5-(2-methylcyclopropyl)furan-2-yl]propanamide is sourced from PubChem (CID 83097528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).