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

C17H15Cl2N5O — CID 66599604

IUPAC(2,3-dichlorophenyl)-[3-(1-methylpyrrol-2-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
SMILESCn1cccc1-c1nnc2n1CCN(C(=O)c1cccc(Cl)c1Cl)C2
InChIInChI=1S/C17H15Cl2N5O/c1-22-7-3-6-13(22)16-21-20-14-10-23(8-9-24(14)16)17(25)11-4-2-5-12(18)15(11)19/h2-7H,8-10H2,1H3
InChIKeyLQVTUNHSFVHXPW-UHFFFAOYSA-N
MW376.25 g/mol
LogP3.25
Rot. Bonds2

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

(2,3-dichlorophenyl)-[3-(1-methylpyrrol-2-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone (PubChem CID 66599604) has the molecular formula C17H15Cl2N5O and a molecular weight of 376.25 g/mol. Its IUPAC name is (2,3-dichlorophenyl)-[3-(1-methylpyrrol-2-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone.

Molecular Properties

Compound Name(2,3-dichlorophenyl)-[3-(1-methylpyrrol-2-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
PubChem CID66599604
Molecular FormulaC17H15Cl2N5O
Molecular Weight376.25 g/mol
Exact Mass375.07
IUPAC Name(2,3-dichlorophenyl)-[3-(1-methylpyrrol-2-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
SMILESCn1cccc1-c1nnc2n1CCN(C(=O)c1cccc(Cl)c1Cl)C2
InChIInChI=1S/C17H15Cl2N5O/c1-22-7-3-6-13(22)16-21-20-14-10-23(8-9-24(14)16)17(25)11-4-2-5-12(18)15(11)19/h2-7H,8-10H2,1H3
InChIKeyLQVTUNHSFVHXPW-UHFFFAOYSA-N
XLogP3.25
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.25
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(6S)-7-[(2,3-dichlorophenyl)methyl]-6-methyl-3-pyrazin-2-yl-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-one
CID 86279350
1-[2-(3,4-Dichloro-phenyl)-2-oxo-ethyl]-4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-pyridinium
CID 12005514
4-(6-(3,4-dichlorobenzylamino)imidazo[1,2-b]pyridazin-3-yl)-N-(2-(dimethylamino)ethyl)benzamide
CID 24959043
[2-chloro-3-(trifluoromethyl)phenyl]-(3-pyrazin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone
CID 66598994
(2,3-dichlorophenyl)-(3-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone
CID 66599177
7-[(2,3-Dichlorophenyl)carbonyl]-3-(2-pyrazinyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazine
CID 66599198
[2-chloro-3-(trifluoromethyl)phenyl]-(3-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone
CID 66599277
US9687479, 395 N-benzyl-1-[(2-chlorophenyl)carbonyl]-3-(pyridin-2-yl)-1H-1,2,4-triazol-5-amine
CID 71544427
(2,3-dichlorophenyl)-[4-(triazol-2-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone
CID 86281680
(2,3-dichlorophenyl)-[(8R)-8-methyl-3-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
CID 118949555
(2,3-dichlorophenyl)-(8-methyl-3-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone
CID 118949557
(2,3-dichlorophenyl)-[(6S)-3-(6-fluoro-2-pyridinyl)-6-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
CID 118949576

Frequently Asked Questions

What is the IUPAC name of (2,3-dichlorophenyl)-[3-(1-methylpyrrol-2-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
The IUPAC name of (2,3-dichlorophenyl)-[3-(1-methylpyrrol-2-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone (CID 66599604) is (2,3-dichlorophenyl)-[3-(1-methylpyrrol-2-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone.
What is the SMILES notation for (2,3-dichlorophenyl)-[3-(1-methylpyrrol-2-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
The canonical SMILES for (2,3-dichlorophenyl)-[3-(1-methylpyrrol-2-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone is Cn1cccc1-c1nnc2n1CCN(C(=O)c1cccc(Cl)c1Cl)C2.
What is the InChIKey of (2,3-dichlorophenyl)-[3-(1-methylpyrrol-2-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
The InChIKey is LQVTUNHSFVHXPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2N5O/c1-22-7-3-6-13(22)16-21-20-14-10-23(8-9-24(14)16)17(25)11-4-2-5-12(18)15(11)19/h2-7H,8-10H2,1H3.
What are the key properties of (2,3-dichlorophenyl)-[3-(1-methylpyrrol-2-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
(2,3-dichlorophenyl)-[3-(1-methylpyrrol-2-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone has a molecular weight of 376.25 g/mol, XLogP of 3.25, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dichlorophenyl)-[3-(1-methylpyrrol-2-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone is sourced from PubChem (CID 66599604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).