3-cyclohexyl-N-ethyl-9-methyl-[1,2,4]triazolo[4,3-c]quinazolin-5-amine

C18H23N5 — CID 42864553

IUPAC3-cyclohexyl-N-ethyl-9-methyl-[1,2,4]triazolo[4,3-c]quinazolin-5-amine
SMILESCCNc1nc2ccc(C)cc2c2nnc(C3CCCCC3)n12
InChIInChI=1S/C18H23N5/c1-3-19-18-20-15-10-9-12(2)11-14(15)17-22-21-16(23(17)18)13-7-5-4-6-8-13/h9-11,13H,3-8H2,1-2H3,(H,19,20)
InChIKeyVVUYFRGERGOBBT-UHFFFAOYSA-N
MW309.42 g/mol
LogP4.07
Rot. Bonds3

About 3-cyclohexyl-N-ethyl-9-methyl-[1,2,4]triazolo[4,3-c]quinazolin-5-amine

3-cyclohexyl-N-ethyl-9-methyl-[1,2,4]triazolo[4,3-c]quinazolin-5-amine (PubChem CID 42864553) has the molecular formula C18H23N5 and a molecular weight of 309.42 g/mol. Its IUPAC name is 3-cyclohexyl-N-ethyl-9-methyl-[1,2,4]triazolo[4,3-c]quinazolin-5-amine.

Molecular Properties

Compound Name3-cyclohexyl-N-ethyl-9-methyl-[1,2,4]triazolo[4,3-c]quinazolin-5-amine
PubChem CID42864553
Molecular FormulaC18H23N5
Molecular Weight309.42 g/mol
Exact Mass309.20
IUPAC Name3-cyclohexyl-N-ethyl-9-methyl-[1,2,4]triazolo[4,3-c]quinazolin-5-amine
SMILESCCNc1nc2ccc(C)cc2c2nnc(C3CCCCC3)n12
InChIInChI=1S/C18H23N5/c1-3-19-18-20-15-10-9-12(2)11-14(15)17-22-21-16(23(17)18)13-7-5-4-6-8-13/h9-11,13H,3-8H2,1-2H3,(H,19,20)
InChIKeyVVUYFRGERGOBBT-UHFFFAOYSA-N
XLogP4.07
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.42
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-cyclohexyl-5-(1,4-diazepan-1-yl)-9-methyl-[1,2,4]triazolo[4,3-c]quinazoline
CID 42864326
N'-benzyl-N'-(3-cyclohexyl-9-methyl-[1,2,4]triazolo[4,3-c]quinazolin-5-yl)-N,N-dimethylethane-1,2-diamine
CID 42864558
cyclobutyl-[4-(3-cyclohexyl-9-methyl-[1,2,4]triazolo[4,3-c]quinazolin-5-yl)piperazin-1-yl]methanone
CID 46063935
[4-(3-cyclohexyl-9-methyl-[1,2,4]triazolo[4,3-c]quinazolin-5-yl)piperazin-1-yl]-(3-methylphenyl)methanone
CID 42864758
N-benzyl-3-cyclopropyl-[1,2,4]triazolo[4,3-c]quinazolin-5-amine
CID 42864660
3-(methoxymethyl)-9-methyl-N-(2-methylpropyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-amine
CID 42864498
[(2S)-4-(3-cyclohexyl-9-methyl-[1,2,4]triazolo[4,3-c]quinazolin-5-yl)-2-methylpiperazin-1-yl]-(3-fluorophenyl)methanone
CID 92993067
[4-(3-cyclohexyl-9-methyl-[1,2,4]triazolo[4,3-c]quinazolin-5-yl)-2-methylpiperazin-1-yl]-(furan-2-yl)methanone
CID 42864763
N'-[3-(2-fluorophenyl)-9-methyl-[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-N-methylethane-1,2-diamine
CID 42864529
3-(3-methoxyphenyl)-9-methyl-N-(oxolan-2-ylmethyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-amine
CID 42864468
N-ethyl-2,6-dimethylquinolin-4-amine
CID 62201642
N-cyclohexyl-3-(2-methoxyphenyl)-N,9-dimethyl-[1,2,4]triazolo[4,3-c]quinazolin-5-amine
CID 46063412

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-N-ethyl-9-methyl-[1,2,4]triazolo[4,3-c]quinazolin-5-amine?
The IUPAC name of 3-cyclohexyl-N-ethyl-9-methyl-[1,2,4]triazolo[4,3-c]quinazolin-5-amine (CID 42864553) is 3-cyclohexyl-N-ethyl-9-methyl-[1,2,4]triazolo[4,3-c]quinazolin-5-amine.
What is the SMILES notation for 3-cyclohexyl-N-ethyl-9-methyl-[1,2,4]triazolo[4,3-c]quinazolin-5-amine?
The canonical SMILES for 3-cyclohexyl-N-ethyl-9-methyl-[1,2,4]triazolo[4,3-c]quinazolin-5-amine is CCNc1nc2ccc(C)cc2c2nnc(C3CCCCC3)n12.
What is the InChIKey of 3-cyclohexyl-N-ethyl-9-methyl-[1,2,4]triazolo[4,3-c]quinazolin-5-amine?
The InChIKey is VVUYFRGERGOBBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5/c1-3-19-18-20-15-10-9-12(2)11-14(15)17-22-21-16(23(17)18)13-7-5-4-6-8-13/h9-11,13H,3-8H2,1-2H3,(H,19,20).
What are the key properties of 3-cyclohexyl-N-ethyl-9-methyl-[1,2,4]triazolo[4,3-c]quinazolin-5-amine?
3-cyclohexyl-N-ethyl-9-methyl-[1,2,4]triazolo[4,3-c]quinazolin-5-amine has a molecular weight of 309.42 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-N-ethyl-9-methyl-[1,2,4]triazolo[4,3-c]quinazolin-5-amine is sourced from PubChem (CID 42864553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).