N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-3-[5-(4-methylphenyl)furan-2-yl]propanamide

C17H19N5O2 — CID 119063917

IUPACN-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-3-[5-(4-methylphenyl)furan-2-yl]propanamide
SMILESCc1ccc(-c2ccc(CCC(=O)NCc3nc(N)n[nH]3)o2)cc1
InChIInChI=1S/C17H19N5O2/c1-11-2-4-12(5-3-11)14-8-6-13(24-14)7-9-16(23)19-10-15-20-17(18)22-21-15/h2-6,8H,7,9-10H2,1H3,(H,19,23)(H3,18,20,21,22)
InChIKeyQFCLXBNKZZNDQW-UHFFFAOYSA-N
MW325.37 g/mol
LogP2.20
Rot. Bonds6

About N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-3-[5-(4-methylphenyl)furan-2-yl]propanamide

N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-3-[5-(4-methylphenyl)furan-2-yl]propanamide (PubChem CID 119063917) has the molecular formula C17H19N5O2 and a molecular weight of 325.37 g/mol. Its IUPAC name is N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-3-[5-(4-methylphenyl)furan-2-yl]propanamide.

Molecular Properties

Compound NameN-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-3-[5-(4-methylphenyl)furan-2-yl]propanamide
PubChem CID119063917
Molecular FormulaC17H19N5O2
Molecular Weight325.37 g/mol
Exact Mass325.15
IUPAC NameN-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-3-[5-(4-methylphenyl)furan-2-yl]propanamide
SMILESCc1ccc(-c2ccc(CCC(=O)NCc3nc(N)n[nH]3)o2)cc1
InChIInChI=1S/C17H19N5O2/c1-11-2-4-12(5-3-11)14-8-6-13(24-14)7-9-16(23)19-10-15-20-17(18)22-21-15/h2-6,8H,7,9-10H2,1H3,(H,19,23)(H3,18,20,21,22)
InChIKeyQFCLXBNKZZNDQW-UHFFFAOYSA-N
XLogP2.20
TPSA109.83 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 52.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-3-[5-(4-methylphenyl)furan-2-yl]propanamide?
The IUPAC name of N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-3-[5-(4-methylphenyl)furan-2-yl]propanamide (CID 119063917) is N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-3-[5-(4-methylphenyl)furan-2-yl]propanamide.
What is the SMILES notation for N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-3-[5-(4-methylphenyl)furan-2-yl]propanamide?
The canonical SMILES for N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-3-[5-(4-methylphenyl)furan-2-yl]propanamide is Cc1ccc(-c2ccc(CCC(=O)NCc3nc(N)n[nH]3)o2)cc1.
What is the InChIKey of N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-3-[5-(4-methylphenyl)furan-2-yl]propanamide?
The InChIKey is QFCLXBNKZZNDQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2/c1-11-2-4-12(5-3-11)14-8-6-13(24-14)7-9-16(23)19-10-15-20-17(18)22-21-15/h2-6,8H,7,9-10H2,1H3,(H,19,23)(H3,18,20,21,22).
What are the key properties of N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-3-[5-(4-methylphenyl)furan-2-yl]propanamide?
N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-3-[5-(4-methylphenyl)furan-2-yl]propanamide has a molecular weight of 325.37 g/mol, XLogP of 2.20, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-3-[5-(4-methylphenyl)furan-2-yl]propanamide is sourced from PubChem (CID 119063917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).