5-[5-[4-(1-piperidin-1-ylethyl)phenyl]furan-2-yl]-1H-1,2,4-triazol-3-amine

C19H23N5O — CID 162625372

IUPAC5-[5-[4-(1-piperidin-1-ylethyl)phenyl]furan-2-yl]-1H-1,2,4-triazol-3-amine
SMILESCC(c1ccc(-c2ccc(-c3nc(N)n[nH]3)o2)cc1)N1CCCCC1
InChIInChI=1S/C19H23N5O/c1-13(24-11-3-2-4-12-24)14-5-7-15(8-6-14)16-9-10-17(25-16)18-21-19(20)23-22-18/h5-10,13H,2-4,11-12H2,1H3,(H3,20,21,22,23)
InChIKeyFFEIIQZJBPYORA-UHFFFAOYSA-N
MW337.43 g/mol
LogP3.86
Rot. Bonds4

About 5-[5-[4-(1-piperidin-1-ylethyl)phenyl]furan-2-yl]-1H-1,2,4-triazol-3-amine

5-[5-[4-(1-piperidin-1-ylethyl)phenyl]furan-2-yl]-1H-1,2,4-triazol-3-amine (PubChem CID 162625372) has the molecular formula C19H23N5O and a molecular weight of 337.43 g/mol. Its IUPAC name is 5-[5-[4-(1-piperidin-1-ylethyl)phenyl]furan-2-yl]-1H-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-[5-[4-(1-piperidin-1-ylethyl)phenyl]furan-2-yl]-1H-1,2,4-triazol-3-amine
PubChem CID162625372
Molecular FormulaC19H23N5O
Molecular Weight337.43 g/mol
Exact Mass337.19
IUPAC Name5-[5-[4-(1-piperidin-1-ylethyl)phenyl]furan-2-yl]-1H-1,2,4-triazol-3-amine
SMILESCC(c1ccc(-c2ccc(-c3nc(N)n[nH]3)o2)cc1)N1CCCCC1
InChIInChI=1S/C19H23N5O/c1-13(24-11-3-2-4-12-24)14-5-7-15(8-6-14)16-9-10-17(25-16)18-21-19(20)23-22-18/h5-10,13H,2-4,11-12H2,1H3,(H3,20,21,22,23)
InChIKeyFFEIIQZJBPYORA-UHFFFAOYSA-N
XLogP3.86
TPSA83.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-[5-[4-(1-piperidin-1-ylethyl)phenyl]furan-2-yl]-1H-1,2,4-triazol-3-amine with MolForge

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Related Compounds

3-[4-(1-pyrrolidin-1-ylethyl)phenyl]-5-(trifluoromethyl)-1H-1,2,4-triazole
CID 72902250
1-methyl-4-[4-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]pyrazole
CID 125436875
1-[4-(1-pyrrolidin-1-ylethyl)phenyl]ethanamine;hydrochloride
CID 67217460
2-chloro-5-[4-(1-piperidin-1-ylethyl)phenyl]pyrazine
CID 50977546
3-[4-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]-1,2,5-thiadiazole
CID 126438753
3-methyl-5-[4-[(1R)-1-piperidin-1-ylethyl]phenyl]-1H-pyridazin-6-one
CID 97436737
5-[4-[4-(1-pyrrolidin-1-ylethyl)phenyl]phenyl]-2H-tetrazole
CID 122558610
1-[1-[4-(1-methyltetrazol-5-yl)phenyl]ethyl]piperidine
CID 72914284
3-methoxy-5-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]-1H-1,2,4-triazole
CID 126437933
4-[(1S)-1-piperidin-1-ylethyl]pyridine
CID 11286966
4-[5-(3-amino-1H-1,2,4-triazol-5-yl)furan-2-yl]-N-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzamide
CID 164700189
[5-[4-[(1R)-1-morpholin-4-ylethyl]phenyl]furan-2-yl]-pyrrolidin-1-ylmethanone
CID 95195380

Frequently Asked Questions

What is the IUPAC name of 5-[5-[4-(1-piperidin-1-ylethyl)phenyl]furan-2-yl]-1H-1,2,4-triazol-3-amine?
The IUPAC name of 5-[5-[4-(1-piperidin-1-ylethyl)phenyl]furan-2-yl]-1H-1,2,4-triazol-3-amine (CID 162625372) is 5-[5-[4-(1-piperidin-1-ylethyl)phenyl]furan-2-yl]-1H-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-[5-[4-(1-piperidin-1-ylethyl)phenyl]furan-2-yl]-1H-1,2,4-triazol-3-amine?
The canonical SMILES for 5-[5-[4-(1-piperidin-1-ylethyl)phenyl]furan-2-yl]-1H-1,2,4-triazol-3-amine is CC(c1ccc(-c2ccc(-c3nc(N)n[nH]3)o2)cc1)N1CCCCC1.
What is the InChIKey of 5-[5-[4-(1-piperidin-1-ylethyl)phenyl]furan-2-yl]-1H-1,2,4-triazol-3-amine?
The InChIKey is FFEIIQZJBPYORA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O/c1-13(24-11-3-2-4-12-24)14-5-7-15(8-6-14)16-9-10-17(25-16)18-21-19(20)23-22-18/h5-10,13H,2-4,11-12H2,1H3,(H3,20,21,22,23).
What are the key properties of 5-[5-[4-(1-piperidin-1-ylethyl)phenyl]furan-2-yl]-1H-1,2,4-triazol-3-amine?
5-[5-[4-(1-piperidin-1-ylethyl)phenyl]furan-2-yl]-1H-1,2,4-triazol-3-amine has a molecular weight of 337.43 g/mol, XLogP of 3.86, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[4-(1-piperidin-1-ylethyl)phenyl]furan-2-yl]-1H-1,2,4-triazol-3-amine is sourced from PubChem (CID 162625372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).