(8-methoxy-3,4-dihydro-2H-chromen-3-yl)-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methanone

C19H25N5O3 — CID 70765631

IUPAC(8-methoxy-3,4-dihydro-2H-chromen-3-yl)-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methanone
SMILESCOc1cccc2c1OCC(C(=O)N1CCN(CCn3cncn3)CC1)C2
InChIInChI=1S/C19H25N5O3/c1-26-17-4-2-3-15-11-16(12-27-18(15)17)19(25)23-8-5-22(6-9-23)7-10-24-14-20-13-21-24/h2-4,13-14,16H,5-12H2,1H3
InChIKeyLUFQNCZLERNXPI-UHFFFAOYSA-N
MW371.44 g/mol
LogP0.68
Rot. Bonds5

About (8-methoxy-3,4-dihydro-2H-chromen-3-yl)-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methanone

(8-methoxy-3,4-dihydro-2H-chromen-3-yl)-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methanone (PubChem CID 70765631) has the molecular formula C19H25N5O3 and a molecular weight of 371.44 g/mol. Its IUPAC name is (8-methoxy-3,4-dihydro-2H-chromen-3-yl)-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(8-methoxy-3,4-dihydro-2H-chromen-3-yl)-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methanone
PubChem CID70765631
Molecular FormulaC19H25N5O3
Molecular Weight371.44 g/mol
Exact Mass371.20
IUPAC Name(8-methoxy-3,4-dihydro-2H-chromen-3-yl)-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methanone
SMILESCOc1cccc2c1OCC(C(=O)N1CCN(CCn3cncn3)CC1)C2
InChIInChI=1S/C19H25N5O3/c1-26-17-4-2-3-15-11-16(12-27-18(15)17)19(25)23-8-5-22(6-9-23)7-10-24-14-20-13-21-24/h2-4,13-14,16H,5-12H2,1H3
InChIKeyLUFQNCZLERNXPI-UHFFFAOYSA-N
XLogP0.68
TPSA72.72 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (8-methoxy-3,4-dihydro-2H-chromen-3-yl)-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-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

2-(2,3-Dihydro-1,4-benzodioxin-6-yl)-1-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone
CID 38005466
2-(2,3-Dihydro-1,4-benzodioxin-6-yl)-1-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone
CID 51079865
6-methoxy-N-[(4-propyl-4H-1,2,4-triazol-3-yl)methyl]-3-chromanecarboxamide
CID 70730948
3-(2-Methoxy-4-methylphenoxy)-1-[3-(1,2,4-triazol-1-yl)piperidin-1-yl]propan-1-one
CID 72143000
2-(2,3-Dihydro-1,4-benzodioxin-6-yl)-1-[3-(1,2,4-triazol-1-yl)piperidin-1-yl]ethanone
CID 72143135
3-(2-Methylphenoxy)-1-[3-(1,2,4-triazol-1-yl)piperidin-1-yl]propan-1-one
CID 72143141
N-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-3-(1H-tetrazol-1-yl)propanamide
CID 72874132
8-methoxy-N-[(4-propyl-4H-1,2,4-triazol-3-yl)methyl]chromane-3-carboxamide
CID 72927823
[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone
CID 95382857
6-fluoro-N-[1-[2-(methylamino)-2-oxoethyl]-1,2,4-triazol-3-yl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 121544209
(3R)-6-fluoro-N-[1-[2-(methylamino)-2-oxoethyl]-1,2,4-triazol-3-yl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 124514792
(3S)-6-fluoro-N-[1-[2-(methylamino)-2-oxoethyl]-1,2,4-triazol-3-yl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 124514793

Frequently Asked Questions

What is the IUPAC name of (8-methoxy-3,4-dihydro-2H-chromen-3-yl)-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methanone?
The IUPAC name of (8-methoxy-3,4-dihydro-2H-chromen-3-yl)-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methanone (CID 70765631) is (8-methoxy-3,4-dihydro-2H-chromen-3-yl)-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methanone.
What is the SMILES notation for (8-methoxy-3,4-dihydro-2H-chromen-3-yl)-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methanone?
The canonical SMILES for (8-methoxy-3,4-dihydro-2H-chromen-3-yl)-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methanone is COc1cccc2c1OCC(C(=O)N1CCN(CCn3cncn3)CC1)C2.
What is the InChIKey of (8-methoxy-3,4-dihydro-2H-chromen-3-yl)-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methanone?
The InChIKey is LUFQNCZLERNXPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O3/c1-26-17-4-2-3-15-11-16(12-27-18(15)17)19(25)23-8-5-22(6-9-23)7-10-24-14-20-13-21-24/h2-4,13-14,16H,5-12H2,1H3.
What are the key properties of (8-methoxy-3,4-dihydro-2H-chromen-3-yl)-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methanone?
(8-methoxy-3,4-dihydro-2H-chromen-3-yl)-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methanone has a molecular weight of 371.44 g/mol, XLogP of 0.68, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (8-methoxy-3,4-dihydro-2H-chromen-3-yl)-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methanone is sourced from PubChem (CID 70765631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).