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

C12H12ClN5O — CID 64583723

IUPAC(3-amino-4-chlorophenyl)-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone
SMILESNc1cc(C(=O)N2CCn3cnnc3C2)ccc1Cl
InChIInChI=1S/C12H12ClN5O/c13-9-2-1-8(5-10(9)14)12(19)17-3-4-18-7-15-16-11(18)6-17/h1-2,5,7H,3-4,6,14H2
InChIKeyFVCDQEXSSPRQOG-UHFFFAOYSA-N
MW277.72 g/mol
LogP1.17
Rot. Bonds1

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

(3-amino-4-chlorophenyl)-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone (PubChem CID 64583723) has the molecular formula C12H12ClN5O and a molecular weight of 277.72 g/mol. Its IUPAC name is (3-amino-4-chlorophenyl)-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone.

Molecular Properties

Compound Name(3-amino-4-chlorophenyl)-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone
PubChem CID64583723
Molecular FormulaC12H12ClN5O
Molecular Weight277.72 g/mol
Exact Mass277.07
IUPAC Name(3-amino-4-chlorophenyl)-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone
SMILESNc1cc(C(=O)N2CCn3cnnc3C2)ccc1Cl
InChIInChI=1S/C12H12ClN5O/c13-9-2-1-8(5-10(9)14)12(19)17-3-4-18-7-15-16-11(18)6-17/h1-2,5,7H,3-4,6,14H2
InChIKeyFVCDQEXSSPRQOG-UHFFFAOYSA-N
XLogP1.17
TPSA77.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.72
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(3-amino-4,5-dichlorophenyl)-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone
CID 64581334
(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
6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-[3-methyl-4-(methylamino)phenyl]methanone
CID 64575489
(4-chloro-3-pyridinyl)-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone
CID 81233345
6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)-1,3-dihydroindol-2-one
CID 102712456
(4-amino-1H-pyrazol-5-yl)-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone
CID 64583911
N-(3-amino-4-chlorophenyl)-2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)acetamide
CID 64577650
(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-3-pyridinyl)-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone
CID 64574910
(2-amino-5-bromo-3-pyridinyl)-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone
CID 64574911
6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]methanone
CID 127303204

Frequently Asked Questions

What is the IUPAC name of (3-amino-4-chlorophenyl)-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone?
The IUPAC name of (3-amino-4-chlorophenyl)-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone (CID 64583723) is (3-amino-4-chlorophenyl)-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone.
What is the SMILES notation for (3-amino-4-chlorophenyl)-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone?
The canonical SMILES for (3-amino-4-chlorophenyl)-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone is Nc1cc(C(=O)N2CCn3cnnc3C2)ccc1Cl.
What is the InChIKey of (3-amino-4-chlorophenyl)-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone?
The InChIKey is FVCDQEXSSPRQOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN5O/c13-9-2-1-8(5-10(9)14)12(19)17-3-4-18-7-15-16-11(18)6-17/h1-2,5,7H,3-4,6,14H2.
What are the key properties of (3-amino-4-chlorophenyl)-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone?
(3-amino-4-chlorophenyl)-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone has a molecular weight of 277.72 g/mol, XLogP of 1.17, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-4-chlorophenyl)-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone is sourced from PubChem (CID 64583723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).