(Z)-2-amino-3-[6-amino-4-[1-(2,5-dichlorophenyl)ethyl]-2,3-dihydro-1H-pyrazin-5-yl]prop-2-enamide

C15H19Cl2N5O — CID 144816753

IUPAC(Z)-2-amino-3-[6-amino-4-[1-(2,5-dichlorophenyl)ethyl]-2,3-dihydro-1H-pyrazin-5-yl]prop-2-enamide
SMILESCC(c1cc(Cl)ccc1Cl)N1CCNC(N)=C1/C=C(\N)C(N)=O
InChIInChI=1S/C15H19Cl2N5O/c1-8(10-6-9(16)2-3-11(10)17)22-5-4-21-14(19)13(22)7-12(18)15(20)23/h2-3,6-8,21H,4-5,18-19H2,1H3,(H2,20,23)/b12-7-
InChIKeyZVVCYCVOJBYVHL-GHXNOFRVSA-N
MW356.26 g/mol
LogP1.42
Rot. Bonds4

About (Z)-2-amino-3-[6-amino-4-[1-(2,5-dichlorophenyl)ethyl]-2,3-dihydro-1H-pyrazin-5-yl]prop-2-enamide

(Z)-2-amino-3-[6-amino-4-[1-(2,5-dichlorophenyl)ethyl]-2,3-dihydro-1H-pyrazin-5-yl]prop-2-enamide (PubChem CID 144816753) has the molecular formula C15H19Cl2N5O and a molecular weight of 356.26 g/mol. Its IUPAC name is (Z)-2-amino-3-[6-amino-4-[1-(2,5-dichlorophenyl)ethyl]-2,3-dihydro-1H-pyrazin-5-yl]prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-amino-3-[6-amino-4-[1-(2,5-dichlorophenyl)ethyl]-2,3-dihydro-1H-pyrazin-5-yl]prop-2-enamide
PubChem CID144816753
Molecular FormulaC15H19Cl2N5O
Molecular Weight356.26 g/mol
Exact Mass355.10
IUPAC Name(Z)-2-amino-3-[6-amino-4-[1-(2,5-dichlorophenyl)ethyl]-2,3-dihydro-1H-pyrazin-5-yl]prop-2-enamide
SMILESCC(c1cc(Cl)ccc1Cl)N1CCNC(N)=C1/C=C(\N)C(N)=O
InChIInChI=1S/C15H19Cl2N5O/c1-8(10-6-9(16)2-3-11(10)17)22-5-4-21-14(19)13(22)7-12(18)15(20)23/h2-3,6-8,21H,4-5,18-19H2,1H3,(H2,20,23)/b12-7-
InChIKeyZVVCYCVOJBYVHL-GHXNOFRVSA-N
XLogP1.42
TPSA110.40 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.26
LogP ≤ 51.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-2-amino-3-[6-amino-4-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-2,3-dihydro-1H-pyrazin-5-yl]prop-2-enoic acid
CID 144816671
1-[1-(2,5-dichlorophenyl)ethyl]-2-methylpyrrolidine-3-carboxylic acid
CID 79383025
1-[1-(2-chlorophenyl)ethyl]imidazolidin-2-one
CID 115370564
1-[1-(2,5-dichlorophenyl)ethyl]-2-methylpiperidine-4-carboxylic acid
CID 106745319
1-[1-(2,5-dichlorophenyl)ethyl]azetidin-3-amine
CID 65244974
[4-[[5-[(1R)-1-(2,5-dichlorophenyl)ethyl]-7,8-dihydro-6H-pyrazino[2,3-c]pyridazin-3-yl]amino]-3-methoxyphenyl]-(4-methylpiperazin-1-yl)methanone
CID 121478150
3-chloro-5-[1-[5-chloro-2-(trifluoromethyl)phenyl]ethyl]-7,8-dihydro-6H-pyrazino[2,3-c]pyridazine
CID 121478261
2-(2,5-dichlorophenyl)propanoyl chloride
CID 117047606
1-[1-(2,5-dichlorophenyl)ethyl]-2-pyrrolidin-2-ylpyrrolidine
CID 62274734
2-[4-[1-(2,5-dichlorophenyl)ethyl]morpholin-2-yl]acetic acid
CID 66433750
[1-[1-(2,5-dichlorophenyl)ethyl]-4-methylpiperazin-2-yl]methanamine
CID 80504678
5-[(E)-2-amino-2-chloroethenyl]-4-[(6-chlorocyclohexa-1,5-dien-1-yl)methyl]-2,3-dihydro-1H-pyrazin-6-amine
CID 138508281

Frequently Asked Questions

What is the IUPAC name of (Z)-2-amino-3-[6-amino-4-[1-(2,5-dichlorophenyl)ethyl]-2,3-dihydro-1H-pyrazin-5-yl]prop-2-enamide?
The IUPAC name of (Z)-2-amino-3-[6-amino-4-[1-(2,5-dichlorophenyl)ethyl]-2,3-dihydro-1H-pyrazin-5-yl]prop-2-enamide (CID 144816753) is (Z)-2-amino-3-[6-amino-4-[1-(2,5-dichlorophenyl)ethyl]-2,3-dihydro-1H-pyrazin-5-yl]prop-2-enamide.
What is the SMILES notation for (Z)-2-amino-3-[6-amino-4-[1-(2,5-dichlorophenyl)ethyl]-2,3-dihydro-1H-pyrazin-5-yl]prop-2-enamide?
The canonical SMILES for (Z)-2-amino-3-[6-amino-4-[1-(2,5-dichlorophenyl)ethyl]-2,3-dihydro-1H-pyrazin-5-yl]prop-2-enamide is CC(c1cc(Cl)ccc1Cl)N1CCNC(N)=C1/C=C(\N)C(N)=O.
What is the InChIKey of (Z)-2-amino-3-[6-amino-4-[1-(2,5-dichlorophenyl)ethyl]-2,3-dihydro-1H-pyrazin-5-yl]prop-2-enamide?
The InChIKey is ZVVCYCVOJBYVHL-GHXNOFRVSA-N. The full InChI is InChI=1S/C15H19Cl2N5O/c1-8(10-6-9(16)2-3-11(10)17)22-5-4-21-14(19)13(22)7-12(18)15(20)23/h2-3,6-8,21H,4-5,18-19H2,1H3,(H2,20,23)/b12-7-.
What are the key properties of (Z)-2-amino-3-[6-amino-4-[1-(2,5-dichlorophenyl)ethyl]-2,3-dihydro-1H-pyrazin-5-yl]prop-2-enamide?
(Z)-2-amino-3-[6-amino-4-[1-(2,5-dichlorophenyl)ethyl]-2,3-dihydro-1H-pyrazin-5-yl]prop-2-enamide has a molecular weight of 356.26 g/mol, XLogP of 1.42, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-amino-3-[6-amino-4-[1-(2,5-dichlorophenyl)ethyl]-2,3-dihydro-1H-pyrazin-5-yl]prop-2-enamide is sourced from PubChem (CID 144816753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).