N,N-diethyl-2-propan-2-ylsulfanyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-amine

C16H25N5S — CID 11120763

IUPACN,N-diethyl-2-propan-2-ylsulfanyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-amine
SMILESCCN(CC)c1c2c(nc3nc(SC(C)C)nn13)CCCC2
InChIInChI=1S/C16H25N5S/c1-5-20(6-2)14-12-9-7-8-10-13(12)17-15-18-16(19-21(14)15)22-11(3)4/h11H,5-10H2,1-4H3
InChIKeyHMWWGTJJYCOKJS-UHFFFAOYSA-N
MW319.48 g/mol
LogP3.35
Rot. Bonds5

About N,N-diethyl-2-propan-2-ylsulfanyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-amine

N,N-diethyl-2-propan-2-ylsulfanyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-amine (PubChem CID 11120763) has the molecular formula C16H25N5S and a molecular weight of 319.48 g/mol. Its IUPAC name is N,N-diethyl-2-propan-2-ylsulfanyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-amine.

Molecular Properties

Compound NameN,N-diethyl-2-propan-2-ylsulfanyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-amine
PubChem CID11120763
Molecular FormulaC16H25N5S
Molecular Weight319.48 g/mol
Exact Mass319.18
IUPAC NameN,N-diethyl-2-propan-2-ylsulfanyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-amine
SMILESCCN(CC)c1c2c(nc3nc(SC(C)C)nn13)CCCC2
InChIInChI=1S/C16H25N5S/c1-5-20(6-2)14-12-9-7-8-10-13(12)17-15-18-16(19-21(14)15)22-11(3)4/h11H,5-10H2,1-4H3
InChIKeyHMWWGTJJYCOKJS-UHFFFAOYSA-N
XLogP3.35
TPSA46.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.48
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N,N-diethyl-2-propan-2-ylsulfanyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-propan-2-ylsulfanyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-amine?
The IUPAC name of N,N-diethyl-2-propan-2-ylsulfanyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-amine (CID 11120763) is N,N-diethyl-2-propan-2-ylsulfanyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-amine.
What is the SMILES notation for N,N-diethyl-2-propan-2-ylsulfanyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-amine?
The canonical SMILES for N,N-diethyl-2-propan-2-ylsulfanyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-amine is CCN(CC)c1c2c(nc3nc(SC(C)C)nn13)CCCC2.
What is the InChIKey of N,N-diethyl-2-propan-2-ylsulfanyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-amine?
The InChIKey is HMWWGTJJYCOKJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5S/c1-5-20(6-2)14-12-9-7-8-10-13(12)17-15-18-16(19-21(14)15)22-11(3)4/h11H,5-10H2,1-4H3.
What are the key properties of N,N-diethyl-2-propan-2-ylsulfanyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-amine?
N,N-diethyl-2-propan-2-ylsulfanyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-amine has a molecular weight of 319.48 g/mol, XLogP of 3.35, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-propan-2-ylsulfanyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-amine is sourced from PubChem (CID 11120763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).