N-(3-benzyl-[1,2,4]triazolo[4,3-c]quinazolin-5-yl)-N',N'-dimethylethane-1,2-diamine

C20H22N6 — CID 46063488

IUPACN-(3-benzyl-[1,2,4]triazolo[4,3-c]quinazolin-5-yl)-N',N'-dimethylethane-1,2-diamine
SMILESCN(C)CCNc1nc2ccccc2c2nnc(Cc3ccccc3)n12
InChIInChI=1S/C20H22N6/c1-25(2)13-12-21-20-22-17-11-7-6-10-16(17)19-24-23-18(26(19)20)14-15-8-4-3-5-9-15/h3-11H,12-14H2,1-2H3,(H,21,22)
InChIKeyAOHCUZXUXZMIAQ-UHFFFAOYSA-N
MW346.44 g/mol
LogP2.84
Rot. Bonds6

About N-(3-benzyl-[1,2,4]triazolo[4,3-c]quinazolin-5-yl)-N',N'-dimethylethane-1,2-diamine

N-(3-benzyl-[1,2,4]triazolo[4,3-c]quinazolin-5-yl)-N',N'-dimethylethane-1,2-diamine (PubChem CID 46063488) has the molecular formula C20H22N6 and a molecular weight of 346.44 g/mol. Its IUPAC name is N-(3-benzyl-[1,2,4]triazolo[4,3-c]quinazolin-5-yl)-N',N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN-(3-benzyl-[1,2,4]triazolo[4,3-c]quinazolin-5-yl)-N',N'-dimethylethane-1,2-diamine
PubChem CID46063488
Molecular FormulaC20H22N6
Molecular Weight346.44 g/mol
Exact Mass346.19
IUPAC NameN-(3-benzyl-[1,2,4]triazolo[4,3-c]quinazolin-5-yl)-N',N'-dimethylethane-1,2-diamine
SMILESCN(C)CCNc1nc2ccccc2c2nnc(Cc3ccccc3)n12
InChIInChI=1S/C20H22N6/c1-25(2)13-12-21-20-22-17-11-7-6-10-16(17)19-24-23-18(26(19)20)14-15-8-4-3-5-9-15/h3-11H,12-14H2,1-2H3,(H,21,22)
InChIKeyAOHCUZXUXZMIAQ-UHFFFAOYSA-N
XLogP2.84
TPSA58.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.44
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-benzyl-[1,2,4]triazolo[4,3-c]quinazolin-5-yl)-N',N'-dimethylethane-1,2-diamine?
The IUPAC name of N-(3-benzyl-[1,2,4]triazolo[4,3-c]quinazolin-5-yl)-N',N'-dimethylethane-1,2-diamine (CID 46063488) is N-(3-benzyl-[1,2,4]triazolo[4,3-c]quinazolin-5-yl)-N',N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N-(3-benzyl-[1,2,4]triazolo[4,3-c]quinazolin-5-yl)-N',N'-dimethylethane-1,2-diamine?
The canonical SMILES for N-(3-benzyl-[1,2,4]triazolo[4,3-c]quinazolin-5-yl)-N',N'-dimethylethane-1,2-diamine is CN(C)CCNc1nc2ccccc2c2nnc(Cc3ccccc3)n12.
What is the InChIKey of N-(3-benzyl-[1,2,4]triazolo[4,3-c]quinazolin-5-yl)-N',N'-dimethylethane-1,2-diamine?
The InChIKey is AOHCUZXUXZMIAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6/c1-25(2)13-12-21-20-22-17-11-7-6-10-16(17)19-24-23-18(26(19)20)14-15-8-4-3-5-9-15/h3-11H,12-14H2,1-2H3,(H,21,22).
What are the key properties of N-(3-benzyl-[1,2,4]triazolo[4,3-c]quinazolin-5-yl)-N',N'-dimethylethane-1,2-diamine?
N-(3-benzyl-[1,2,4]triazolo[4,3-c]quinazolin-5-yl)-N',N'-dimethylethane-1,2-diamine has a molecular weight of 346.44 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-benzyl-[1,2,4]triazolo[4,3-c]quinazolin-5-yl)-N',N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 46063488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).