N-(2-chloro-4-methylphenyl)-3-ethyl-[1,2,4]triazolo[4,3-c]quinazolin-5-amine

C18H16ClN5 — CID 20927463

IUPACN-(2-chloro-4-methylphenyl)-3-ethyl-[1,2,4]triazolo[4,3-c]quinazolin-5-amine
SMILESCCc1nnc2c3ccccc3nc(Nc3ccc(C)cc3Cl)n12
InChIInChI=1S/C18H16ClN5/c1-3-16-22-23-17-12-6-4-5-7-14(12)20-18(24(16)17)21-15-9-8-11(2)10-13(15)19/h4-10H,3H2,1-2H3,(H,20,21)
InChIKeySAOWRQCKUXACBL-UHFFFAOYSA-N
MW337.81 g/mol
LogP4.55
Rot. Bonds3

About N-(2-chloro-4-methylphenyl)-3-ethyl-[1,2,4]triazolo[4,3-c]quinazolin-5-amine

N-(2-chloro-4-methylphenyl)-3-ethyl-[1,2,4]triazolo[4,3-c]quinazolin-5-amine (PubChem CID 20927463) has the molecular formula C18H16ClN5 and a molecular weight of 337.81 g/mol. Its IUPAC name is N-(2-chloro-4-methylphenyl)-3-ethyl-[1,2,4]triazolo[4,3-c]quinazolin-5-amine.

Molecular Properties

Compound NameN-(2-chloro-4-methylphenyl)-3-ethyl-[1,2,4]triazolo[4,3-c]quinazolin-5-amine
PubChem CID20927463
Molecular FormulaC18H16ClN5
Molecular Weight337.81 g/mol
Exact Mass337.11
IUPAC NameN-(2-chloro-4-methylphenyl)-3-ethyl-[1,2,4]triazolo[4,3-c]quinazolin-5-amine
SMILESCCc1nnc2c3ccccc3nc(Nc3ccc(C)cc3Cl)n12
InChIInChI=1S/C18H16ClN5/c1-3-16-22-23-17-12-6-4-5-7-14(12)20-18(24(16)17)21-15-9-8-11(2)10-13(15)19/h4-10H,3H2,1-2H3,(H,20,21)
InChIKeySAOWRQCKUXACBL-UHFFFAOYSA-N
XLogP4.55
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.81
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-methylphenyl)-3-ethyl-[1,2,4]triazolo[4,3-c]quinazolin-5-amine?
The IUPAC name of N-(2-chloro-4-methylphenyl)-3-ethyl-[1,2,4]triazolo[4,3-c]quinazolin-5-amine (CID 20927463) is N-(2-chloro-4-methylphenyl)-3-ethyl-[1,2,4]triazolo[4,3-c]quinazolin-5-amine.
What is the SMILES notation for N-(2-chloro-4-methylphenyl)-3-ethyl-[1,2,4]triazolo[4,3-c]quinazolin-5-amine?
The canonical SMILES for N-(2-chloro-4-methylphenyl)-3-ethyl-[1,2,4]triazolo[4,3-c]quinazolin-5-amine is CCc1nnc2c3ccccc3nc(Nc3ccc(C)cc3Cl)n12.
What is the InChIKey of N-(2-chloro-4-methylphenyl)-3-ethyl-[1,2,4]triazolo[4,3-c]quinazolin-5-amine?
The InChIKey is SAOWRQCKUXACBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN5/c1-3-16-22-23-17-12-6-4-5-7-14(12)20-18(24(16)17)21-15-9-8-11(2)10-13(15)19/h4-10H,3H2,1-2H3,(H,20,21).
What are the key properties of N-(2-chloro-4-methylphenyl)-3-ethyl-[1,2,4]triazolo[4,3-c]quinazolin-5-amine?
N-(2-chloro-4-methylphenyl)-3-ethyl-[1,2,4]triazolo[4,3-c]quinazolin-5-amine has a molecular weight of 337.81 g/mol, XLogP of 4.55, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-methylphenyl)-3-ethyl-[1,2,4]triazolo[4,3-c]quinazolin-5-amine is sourced from PubChem (CID 20927463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).