(3-amino-4,5-dichlorophenyl)-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone

C12H11Cl2N5O — CID 64581334

IUPAC(3-amino-4,5-dichlorophenyl)-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone
SMILESNc1cc(C(=O)N2CCn3cnnc3C2)cc(Cl)c1Cl
InChIInChI=1S/C12H11Cl2N5O/c13-8-3-7(4-9(15)11(8)14)12(20)18-1-2-19-6-16-17-10(19)5-18/h3-4,6H,1-2,5,15H2
InChIKeyPHXGWIQBYAAENM-UHFFFAOYSA-N
MW312.16 g/mol
LogP1.82
Rot. Bonds1

About (3-amino-4,5-dichlorophenyl)-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone

(3-amino-4,5-dichlorophenyl)-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone (PubChem CID 64581334) has the molecular formula C12H11Cl2N5O and a molecular weight of 312.16 g/mol. Its IUPAC name is (3-amino-4,5-dichlorophenyl)-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone.

Molecular Properties

Compound Name(3-amino-4,5-dichlorophenyl)-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone
PubChem CID64581334
Molecular FormulaC12H11Cl2N5O
Molecular Weight312.16 g/mol
Exact Mass311.03
IUPAC Name(3-amino-4,5-dichlorophenyl)-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone
SMILESNc1cc(C(=O)N2CCn3cnnc3C2)cc(Cl)c1Cl
InChIInChI=1S/C12H11Cl2N5O/c13-8-3-7(4-9(15)11(8)14)12(20)18-1-2-19-6-16-17-10(19)5-18/h3-4,6H,1-2,5,15H2
InChIKeyPHXGWIQBYAAENM-UHFFFAOYSA-N
XLogP1.82
TPSA77.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.16
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze (3-amino-4,5-dichlorophenyl)-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-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-amino-4-chlorophenyl)-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone
CID 64583723
(2-amino-4-pyridinyl)-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone
CID 64576833
(2-amino-5-hydroxyphenyl)-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone
CID 107075438
(4-amino-1H-pyrazol-5-yl)-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone
CID 64583911
(4-chloro-3-pyridinyl)-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone
CID 81233345
(4-amino-1-methylpyrazol-3-yl)-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone
CID 65355444
(2-amino-5-bromo-3-pyridinyl)-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone
CID 64574911
(3-amino-4,5-dichlorophenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 61093236
(2-amino-3-pyridinyl)-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone
CID 64574910
6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-[3-methyl-4-(methylamino)phenyl]methanone
CID 64575489
2-amino-1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propan-1-one
CID 64576761
6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)-1,3-dihydroindol-2-one
CID 102712456

Frequently Asked Questions

What is the IUPAC name of (3-amino-4,5-dichlorophenyl)-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone?
The IUPAC name of (3-amino-4,5-dichlorophenyl)-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone (CID 64581334) is (3-amino-4,5-dichlorophenyl)-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone.
What is the SMILES notation for (3-amino-4,5-dichlorophenyl)-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone?
The canonical SMILES for (3-amino-4,5-dichlorophenyl)-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone is Nc1cc(C(=O)N2CCn3cnnc3C2)cc(Cl)c1Cl.
What is the InChIKey of (3-amino-4,5-dichlorophenyl)-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone?
The InChIKey is PHXGWIQBYAAENM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl2N5O/c13-8-3-7(4-9(15)11(8)14)12(20)18-1-2-19-6-16-17-10(19)5-18/h3-4,6H,1-2,5,15H2.
What are the key properties of (3-amino-4,5-dichlorophenyl)-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone?
(3-amino-4,5-dichlorophenyl)-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone has a molecular weight of 312.16 g/mol, XLogP of 1.82, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-4,5-dichlorophenyl)-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone is sourced from PubChem (CID 64581334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).