N,2-dimethyl-N-(1-methylsulfonylpropan-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine

C15H19N5O2S — CID 56789659

IUPACN,2-dimethyl-N-(1-methylsulfonylpropan-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
SMILESCc1nc2c3ccccc3nc(N(C)C(C)CS(C)(=O)=O)n2n1
InChIInChI=1S/C15H19N5O2S/c1-10(9-23(4,21)22)19(3)15-17-13-8-6-5-7-12(13)14-16-11(2)18-20(14)15/h5-8,10H,9H2,1-4H3
InChIKeyIXWOHLXVIBFTLD-UHFFFAOYSA-N
MW333.42 g/mol
LogP1.46
Rot. Bonds4

About N,2-dimethyl-N-(1-methylsulfonylpropan-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine

N,2-dimethyl-N-(1-methylsulfonylpropan-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine (PubChem CID 56789659) has the molecular formula C15H19N5O2S and a molecular weight of 333.42 g/mol. Its IUPAC name is N,2-dimethyl-N-(1-methylsulfonylpropan-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine.

Molecular Properties

Compound NameN,2-dimethyl-N-(1-methylsulfonylpropan-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
PubChem CID56789659
Molecular FormulaC15H19N5O2S
Molecular Weight333.42 g/mol
Exact Mass333.13
IUPAC NameN,2-dimethyl-N-(1-methylsulfonylpropan-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
SMILESCc1nc2c3ccccc3nc(N(C)C(C)CS(C)(=O)=O)n2n1
InChIInChI=1S/C15H19N5O2S/c1-10(9-23(4,21)22)19(3)15-17-13-8-6-5-7-12(13)14-16-11(2)18-20(14)15/h5-8,10H,9H2,1-4H3
InChIKeyIXWOHLXVIBFTLD-UHFFFAOYSA-N
XLogP1.46
TPSA80.46 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.42
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-(1-methylsulfonylpropan-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?
The IUPAC name of N,2-dimethyl-N-(1-methylsulfonylpropan-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine (CID 56789659) is N,2-dimethyl-N-(1-methylsulfonylpropan-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine.
What is the SMILES notation for N,2-dimethyl-N-(1-methylsulfonylpropan-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?
The canonical SMILES for N,2-dimethyl-N-(1-methylsulfonylpropan-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine is Cc1nc2c3ccccc3nc(N(C)C(C)CS(C)(=O)=O)n2n1.
What is the InChIKey of N,2-dimethyl-N-(1-methylsulfonylpropan-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?
The InChIKey is IXWOHLXVIBFTLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O2S/c1-10(9-23(4,21)22)19(3)15-17-13-8-6-5-7-12(13)14-16-11(2)18-20(14)15/h5-8,10H,9H2,1-4H3.
What are the key properties of N,2-dimethyl-N-(1-methylsulfonylpropan-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?
N,2-dimethyl-N-(1-methylsulfonylpropan-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine has a molecular weight of 333.42 g/mol, XLogP of 1.46, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-(1-methylsulfonylpropan-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine is sourced from PubChem (CID 56789659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).