1-(2-chlorophenyl)-N,N,4-trimethyl-[1,2,4]triazolo[4,3-a]quinoxalin-8-amine

C18H16ClN5 — CID 71153332

IUPAC1-(2-chlorophenyl)-N,N,4-trimethyl-[1,2,4]triazolo[4,3-a]quinoxalin-8-amine
SMILESCc1nc2ccc(N(C)C)cc2n2c(-c3ccccc3Cl)nnc12
InChIInChI=1S/C18H16ClN5/c1-11-17-21-22-18(13-6-4-5-7-14(13)19)24(17)16-10-12(23(2)3)8-9-15(16)20-11/h4-10H,1-3H3
InChIKeyVWVKVFZRFDUMRX-UHFFFAOYSA-N
MW337.81 g/mol
LogP3.97
Rot. Bonds2

About 1-(2-chlorophenyl)-N,N,4-trimethyl-[1,2,4]triazolo[4,3-a]quinoxalin-8-amine

1-(2-chlorophenyl)-N,N,4-trimethyl-[1,2,4]triazolo[4,3-a]quinoxalin-8-amine (PubChem CID 71153332) has the molecular formula C18H16ClN5 and a molecular weight of 337.81 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N,N,4-trimethyl-[1,2,4]triazolo[4,3-a]quinoxalin-8-amine.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N,N,4-trimethyl-[1,2,4]triazolo[4,3-a]quinoxalin-8-amine
PubChem CID71153332
Molecular FormulaC18H16ClN5
Molecular Weight337.81 g/mol
Exact Mass337.11
IUPAC Name1-(2-chlorophenyl)-N,N,4-trimethyl-[1,2,4]triazolo[4,3-a]quinoxalin-8-amine
SMILESCc1nc2ccc(N(C)C)cc2n2c(-c3ccccc3Cl)nnc12
InChIInChI=1S/C18H16ClN5/c1-11-17-21-22-18(13-6-4-5-7-14(13)19)24(17)16-10-12(23(2)3)8-9-15(16)20-11/h4-10H,1-3H3
InChIKeyVWVKVFZRFDUMRX-UHFFFAOYSA-N
XLogP3.97
TPSA46.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.81
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N,N,4-trimethyl-[1,2,4]triazolo[4,3-a]quinoxalin-8-amine?
The IUPAC name of 1-(2-chlorophenyl)-N,N,4-trimethyl-[1,2,4]triazolo[4,3-a]quinoxalin-8-amine (CID 71153332) is 1-(2-chlorophenyl)-N,N,4-trimethyl-[1,2,4]triazolo[4,3-a]quinoxalin-8-amine.
What is the SMILES notation for 1-(2-chlorophenyl)-N,N,4-trimethyl-[1,2,4]triazolo[4,3-a]quinoxalin-8-amine?
The canonical SMILES for 1-(2-chlorophenyl)-N,N,4-trimethyl-[1,2,4]triazolo[4,3-a]quinoxalin-8-amine is Cc1nc2ccc(N(C)C)cc2n2c(-c3ccccc3Cl)nnc12.
What is the InChIKey of 1-(2-chlorophenyl)-N,N,4-trimethyl-[1,2,4]triazolo[4,3-a]quinoxalin-8-amine?
The InChIKey is VWVKVFZRFDUMRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN5/c1-11-17-21-22-18(13-6-4-5-7-14(13)19)24(17)16-10-12(23(2)3)8-9-15(16)20-11/h4-10H,1-3H3.
What are the key properties of 1-(2-chlorophenyl)-N,N,4-trimethyl-[1,2,4]triazolo[4,3-a]quinoxalin-8-amine?
1-(2-chlorophenyl)-N,N,4-trimethyl-[1,2,4]triazolo[4,3-a]quinoxalin-8-amine has a molecular weight of 337.81 g/mol, XLogP of 3.97, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-N,N,4-trimethyl-[1,2,4]triazolo[4,3-a]quinoxalin-8-amine is sourced from PubChem (CID 71153332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).