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

C13H19N5 — CID 14748421

IUPACN,N-diethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-amine
SMILESCCN(CC)c1c2c(nc3ncnn13)CCCC2
InChIInChI=1S/C13H19N5/c1-3-17(4-2)12-10-7-5-6-8-11(10)16-13-14-9-15-18(12)13/h9H,3-8H2,1-2H3
InChIKeyFPXHTDKWYHRYAV-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.85
Rot. Bonds3

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

N,N-diethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-amine (PubChem CID 14748421) has the molecular formula C13H19N5 and a molecular weight of 245.33 g/mol. Its IUPAC name is N,N-diethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-amine.

Molecular Properties

Compound NameN,N-diethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-amine
PubChem CID14748421
Molecular FormulaC13H19N5
Molecular Weight245.33 g/mol
Exact Mass245.16
IUPAC NameN,N-diethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-amine
SMILESCCN(CC)c1c2c(nc3ncnn13)CCCC2
InChIInChI=1S/C13H19N5/c1-3-17(4-2)12-10-7-5-6-8-11(10)16-13-14-9-15-18(12)13/h9H,3-8H2,1-2H3
InChIKeyFPXHTDKWYHRYAV-UHFFFAOYSA-N
XLogP1.85
TPSA46.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-amine?
The IUPAC name of N,N-diethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-amine (CID 14748421) is N,N-diethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-amine.
What is the SMILES notation for N,N-diethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-amine?
The canonical SMILES for N,N-diethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-amine is CCN(CC)c1c2c(nc3ncnn13)CCCC2.
What is the InChIKey of N,N-diethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-amine?
The InChIKey is FPXHTDKWYHRYAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5/c1-3-17(4-2)12-10-7-5-6-8-11(10)16-13-14-9-15-18(12)13/h9H,3-8H2,1-2H3.
What are the key properties of N,N-diethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-amine?
N,N-diethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-amine has a molecular weight of 245.33 g/mol, XLogP of 1.85, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-amine is sourced from PubChem (CID 14748421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).