(4-methyl-2,3-dihydro-1,4-benzoxazin-2-yl)-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methanone

C18H24N6O2 — CID 118778339

IUPAC(4-methyl-2,3-dihydro-1,4-benzoxazin-2-yl)-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methanone
SMILESCN1CC(C(=O)N2CCN(CCn3cncn3)CC2)Oc2ccccc21
InChIInChI=1S/C18H24N6O2/c1-21-12-17(26-16-5-3-2-4-15(16)21)18(25)23-9-6-22(7-10-23)8-11-24-14-19-13-20-24/h2-5,13-14,17H,6-12H2,1H3
InChIKeyHSYCHLYFTRIWAC-UHFFFAOYSA-N
MW356.43 g/mol
LogP0.32
Rot. Bonds4

About (4-methyl-2,3-dihydro-1,4-benzoxazin-2-yl)-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methanone

(4-methyl-2,3-dihydro-1,4-benzoxazin-2-yl)-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methanone (PubChem CID 118778339) has the molecular formula C18H24N6O2 and a molecular weight of 356.43 g/mol. Its IUPAC name is (4-methyl-2,3-dihydro-1,4-benzoxazin-2-yl)-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-methyl-2,3-dihydro-1,4-benzoxazin-2-yl)-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methanone
PubChem CID118778339
Molecular FormulaC18H24N6O2
Molecular Weight356.43 g/mol
Exact Mass356.20
IUPAC Name(4-methyl-2,3-dihydro-1,4-benzoxazin-2-yl)-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methanone
SMILESCN1CC(C(=O)N2CCN(CCn3cncn3)CC2)Oc2ccccc21
InChIInChI=1S/C18H24N6O2/c1-21-12-17(26-16-5-3-2-4-15(16)21)18(25)23-9-6-22(7-10-23)8-11-24-14-19-13-20-24/h2-5,13-14,17H,6-12H2,1H3
InChIKeyHSYCHLYFTRIWAC-UHFFFAOYSA-N
XLogP0.32
TPSA66.73 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 50.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (4-methyl-2,3-dihydro-1,4-benzoxazin-2-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

(4-methyl-2,3-dihydro-1,4-benzoxazin-2-yl)-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone
CID 118789478
[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methanone
CID 96581047
(3S)-1-phenyl-3-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazine-1-carbonyl]pyrrolidin-2-one
CID 97285430
2-(benzotriazol-2-yl)-1-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]ethanone
CID 70724671
[1-(furan-2-ylmethyl)piperidin-3-yl]-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methanone
CID 72838935
1,5,5-trimethyl-4-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazine-1-carbonyl]pyrrolidin-2-one
CID 91840554
2-(dimethylamino)-8-(4-methyl-2,3-dihydro-1,4-benzoxazine-2-carbonyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 118784762
N-[(3S)-1-benzylpiperidin-3-yl]-4-[2-(1,2,4-triazol-1-yl)ethyl]piperazine-1-carboxamide
CID 126442251
3-[(2S)-1-oxo-1-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]propan-2-yl]-1,3-benzoxazol-2-one
CID 124752478
3-[4-[(3S)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]piperazin-1-yl]-N-phenylpropanamide
CID 30101273
N-hydroxy-4-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 163392818
cyclopropyl-[(2R)-2-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazine-1-carbonyl]piperidin-1-yl]methanone
CID 124851829

Frequently Asked Questions

What is the IUPAC name of (4-methyl-2,3-dihydro-1,4-benzoxazin-2-yl)-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methanone?
The IUPAC name of (4-methyl-2,3-dihydro-1,4-benzoxazin-2-yl)-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methanone (CID 118778339) is (4-methyl-2,3-dihydro-1,4-benzoxazin-2-yl)-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methanone.
What is the SMILES notation for (4-methyl-2,3-dihydro-1,4-benzoxazin-2-yl)-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methanone?
The canonical SMILES for (4-methyl-2,3-dihydro-1,4-benzoxazin-2-yl)-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methanone is CN1CC(C(=O)N2CCN(CCn3cncn3)CC2)Oc2ccccc21.
What is the InChIKey of (4-methyl-2,3-dihydro-1,4-benzoxazin-2-yl)-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methanone?
The InChIKey is HSYCHLYFTRIWAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O2/c1-21-12-17(26-16-5-3-2-4-15(16)21)18(25)23-9-6-22(7-10-23)8-11-24-14-19-13-20-24/h2-5,13-14,17H,6-12H2,1H3.
What are the key properties of (4-methyl-2,3-dihydro-1,4-benzoxazin-2-yl)-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methanone?
(4-methyl-2,3-dihydro-1,4-benzoxazin-2-yl)-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methanone has a molecular weight of 356.43 g/mol, XLogP of 0.32, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-2,3-dihydro-1,4-benzoxazin-2-yl)-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methanone is sourced from PubChem (CID 118778339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).