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

C14H22N6 — CID 3231388

IUPACN',N'-dimethyl-N-(6-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-yl)ethane-1,2-diamine
SMILESCC1CCc2c(nc3ncnn3c2NCCN(C)C)C1
InChIInChI=1S/C14H22N6/c1-10-4-5-11-12(8-10)18-14-16-9-17-20(14)13(11)15-6-7-19(2)3/h9-10,15H,4-8H2,1-3H3
InChIKeyCVDUUEWOYKMZLY-UHFFFAOYSA-N
MW274.37 g/mol
LogP1.22
Rot. Bonds4

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

N',N'-dimethyl-N-(6-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-yl)ethane-1,2-diamine (PubChem CID 3231388) has the molecular formula C14H22N6 and a molecular weight of 274.37 g/mol. Its IUPAC name is N',N'-dimethyl-N-(6-methyl-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-(6-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-yl)ethane-1,2-diamine
PubChem CID3231388
Molecular FormulaC14H22N6
Molecular Weight274.37 g/mol
Exact Mass274.19
IUPAC NameN',N'-dimethyl-N-(6-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-yl)ethane-1,2-diamine
SMILESCC1CCc2c(nc3ncnn3c2NCCN(C)C)C1
InChIInChI=1S/C14H22N6/c1-10-4-5-11-12(8-10)18-14-16-9-17-20(14)13(11)15-6-7-19(2)3/h9-10,15H,4-8H2,1-3H3
InChIKeyCVDUUEWOYKMZLY-UHFFFAOYSA-N
XLogP1.22
TPSA58.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 51.22
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-(6-methyl-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-(6-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-yl)ethane-1,2-diamine (CID 3231388) is N',N'-dimethyl-N-(6-methyl-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-(6-methyl-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-(6-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-yl)ethane-1,2-diamine is CC1CCc2c(nc3ncnn3c2NCCN(C)C)C1.
What is the InChIKey of N',N'-dimethyl-N-(6-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-yl)ethane-1,2-diamine?
The InChIKey is CVDUUEWOYKMZLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N6/c1-10-4-5-11-12(8-10)18-14-16-9-17-20(14)13(11)15-6-7-19(2)3/h9-10,15H,4-8H2,1-3H3.
What are the key properties of N',N'-dimethyl-N-(6-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-yl)ethane-1,2-diamine?
N',N'-dimethyl-N-(6-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-yl)ethane-1,2-diamine has a molecular weight of 274.37 g/mol, XLogP of 1.22, 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-(6-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-yl)ethane-1,2-diamine is sourced from PubChem (CID 3231388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).