[4-(furan-2-ylmethyl)piperazin-1-yl]-(5-methyl-2-phenyltriazol-4-yl)methanone

C19H21N5O2 — CID 46684636

IUPAC[4-(furan-2-ylmethyl)piperazin-1-yl]-(5-methyl-2-phenyltriazol-4-yl)methanone
SMILESCc1nn(-c2ccccc2)nc1C(=O)N1CCN(Cc2ccco2)CC1
InChIInChI=1S/C19H21N5O2/c1-15-18(21-24(20-15)16-6-3-2-4-7-16)19(25)23-11-9-22(10-12-23)14-17-8-5-13-26-17/h2-8,13H,9-12,14H2,1H3
InChIKeySEDNAXWYKGQICS-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.13
Rot. Bonds4

About [4-(furan-2-ylmethyl)piperazin-1-yl]-(5-methyl-2-phenyltriazol-4-yl)methanone

[4-(furan-2-ylmethyl)piperazin-1-yl]-(5-methyl-2-phenyltriazol-4-yl)methanone (PubChem CID 46684636) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is [4-(furan-2-ylmethyl)piperazin-1-yl]-(5-methyl-2-phenyltriazol-4-yl)methanone.

Molecular Properties

Compound Name[4-(furan-2-ylmethyl)piperazin-1-yl]-(5-methyl-2-phenyltriazol-4-yl)methanone
PubChem CID46684636
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC Name[4-(furan-2-ylmethyl)piperazin-1-yl]-(5-methyl-2-phenyltriazol-4-yl)methanone
SMILESCc1nn(-c2ccccc2)nc1C(=O)N1CCN(Cc2ccco2)CC1
InChIInChI=1S/C19H21N5O2/c1-15-18(21-24(20-15)16-6-3-2-4-7-16)19(25)23-11-9-22(10-12-23)14-17-8-5-13-26-17/h2-8,13H,9-12,14H2,1H3
InChIKeySEDNAXWYKGQICS-UHFFFAOYSA-N
XLogP2.13
TPSA67.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [4-(furan-2-ylmethyl)piperazin-1-yl]-(5-methyl-2-phenyltriazol-4-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-[4-(furan-2-ylmethyl)piperazine-1-carbonyl]-1-methylpyrazol-4-yl]-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone
CID 29097638
1-[4-(furan-2-ylmethyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 17249414
[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-(5-methyl-2-phenyltriazol-4-yl)methanone
CID 31329220
[4-bromo-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone
CID 19279532
(2-fluorophenyl)-[4-(5-methyl-2-phenyltriazole-4-carbonyl)piperazin-1-yl]methanone
CID 30752856
[4-(3-methylphenyl)piperazin-1-yl]-(5-methyl-2-phenyltriazol-4-yl)methanone
CID 27049072
(1-ethylpyrazol-3-yl)-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone
CID 19279222
N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-5-methyl-2-phenyltriazole-4-carboxamide
CID 31638385
(2,6-dimethoxyphenyl)-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone;oxalic acid
CID 90483280
[4-(furan-2-ylmethyl)piperazin-1-yl]-quinolin-2-ylmethanone
CID 46547011
1-(furan-2-ylmethyl)-4-[(2-methylphenyl)methyl]piperazine;oxalic acid
CID 126476688
1-[4-(furan-2-ylmethyl)piperazin-1-yl]-2,2-diphenylethanone
CID 1131695

Frequently Asked Questions

What is the IUPAC name of [4-(furan-2-ylmethyl)piperazin-1-yl]-(5-methyl-2-phenyltriazol-4-yl)methanone?
The IUPAC name of [4-(furan-2-ylmethyl)piperazin-1-yl]-(5-methyl-2-phenyltriazol-4-yl)methanone (CID 46684636) is [4-(furan-2-ylmethyl)piperazin-1-yl]-(5-methyl-2-phenyltriazol-4-yl)methanone.
What is the SMILES notation for [4-(furan-2-ylmethyl)piperazin-1-yl]-(5-methyl-2-phenyltriazol-4-yl)methanone?
The canonical SMILES for [4-(furan-2-ylmethyl)piperazin-1-yl]-(5-methyl-2-phenyltriazol-4-yl)methanone is Cc1nn(-c2ccccc2)nc1C(=O)N1CCN(Cc2ccco2)CC1.
What is the InChIKey of [4-(furan-2-ylmethyl)piperazin-1-yl]-(5-methyl-2-phenyltriazol-4-yl)methanone?
The InChIKey is SEDNAXWYKGQICS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2/c1-15-18(21-24(20-15)16-6-3-2-4-7-16)19(25)23-11-9-22(10-12-23)14-17-8-5-13-26-17/h2-8,13H,9-12,14H2,1H3.
What are the key properties of [4-(furan-2-ylmethyl)piperazin-1-yl]-(5-methyl-2-phenyltriazol-4-yl)methanone?
[4-(furan-2-ylmethyl)piperazin-1-yl]-(5-methyl-2-phenyltriazol-4-yl)methanone has a molecular weight of 351.41 g/mol, XLogP of 2.13, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(furan-2-ylmethyl)piperazin-1-yl]-(5-methyl-2-phenyltriazol-4-yl)methanone is sourced from PubChem (CID 46684636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).