N',N'-dimethyl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-yl)ethane-1,2-diamine

C13H20N6 — CID 1448225

IUPACN',N'-dimethyl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-yl)ethane-1,2-diamine
SMILESCN(C)CCNc1c2c(nc3ncnn13)CCCC2
InChIInChI=1S/C13H20N6/c1-18(2)8-7-14-12-10-5-3-4-6-11(10)17-13-15-9-16-19(12)13/h9,14H,3-8H2,1-2H3
InChIKeyRJRVIEMCLSSMIW-UHFFFAOYSA-N
MW260.34 g/mol
LogP0.98
Rot. Bonds4

About N',N'-dimethyl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-yl)ethane-1,2-diamine

N',N'-dimethyl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-yl)ethane-1,2-diamine (PubChem CID 1448225) has the molecular formula C13H20N6 and a molecular weight of 260.34 g/mol. Its IUPAC name is N',N'-dimethyl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-dimethyl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-yl)ethane-1,2-diamine
PubChem CID1448225
Molecular FormulaC13H20N6
Molecular Weight260.34 g/mol
Exact Mass260.17
IUPAC NameN',N'-dimethyl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-yl)ethane-1,2-diamine
SMILESCN(C)CCNc1c2c(nc3ncnn13)CCCC2
InChIInChI=1S/C13H20N6/c1-18(2)8-7-14-12-10-5-3-4-6-11(10)17-13-15-9-16-19(12)13/h9,14H,3-8H2,1-2H3
InChIKeyRJRVIEMCLSSMIW-UHFFFAOYSA-N
XLogP0.98
TPSA58.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-yl)ethane-1,2-diamine?
The IUPAC name of N',N'-dimethyl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-yl)ethane-1,2-diamine (CID 1448225) is N',N'-dimethyl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-yl)ethane-1,2-diamine.
What is the SMILES notation for N',N'-dimethyl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-yl)ethane-1,2-diamine?
The canonical SMILES for N',N'-dimethyl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-yl)ethane-1,2-diamine is CN(C)CCNc1c2c(nc3ncnn13)CCCC2.
What is the InChIKey of N',N'-dimethyl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-yl)ethane-1,2-diamine?
The InChIKey is RJRVIEMCLSSMIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6/c1-18(2)8-7-14-12-10-5-3-4-6-11(10)17-13-15-9-16-19(12)13/h9,14H,3-8H2,1-2H3.
What are the key properties of N',N'-dimethyl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-yl)ethane-1,2-diamine?
N',N'-dimethyl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-yl)ethane-1,2-diamine has a molecular weight of 260.34 g/mol, XLogP of 0.98, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-yl)ethane-1,2-diamine is sourced from PubChem (CID 1448225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).