N,2-dimethyl-8-(thiophen-2-ylmethyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine

C12H13N5S — CID 24874174

IUPACN,2-dimethyl-8-(thiophen-2-ylmethyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine
SMILESCNc1nc(C)nc2c(Cc3cccs3)cnn12
InChIInChI=1S/C12H13N5S/c1-8-15-11-9(6-10-4-3-5-18-10)7-14-17(11)12(13-2)16-8/h3-5,7H,6H2,1-2H3,(H,13,15,16)
InChIKeyWGRCQLHLTMNLKJ-UHFFFAOYSA-N
MW259.34 g/mol
LogP2.13
Rot. Bonds3

About N,2-dimethyl-8-(thiophen-2-ylmethyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine

N,2-dimethyl-8-(thiophen-2-ylmethyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine (PubChem CID 24874174) has the molecular formula C12H13N5S and a molecular weight of 259.34 g/mol. Its IUPAC name is N,2-dimethyl-8-(thiophen-2-ylmethyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine.

Molecular Properties

Compound NameN,2-dimethyl-8-(thiophen-2-ylmethyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine
PubChem CID24874174
Molecular FormulaC12H13N5S
Molecular Weight259.34 g/mol
Exact Mass259.09
IUPAC NameN,2-dimethyl-8-(thiophen-2-ylmethyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine
SMILESCNc1nc(C)nc2c(Cc3cccs3)cnn12
InChIInChI=1S/C12H13N5S/c1-8-15-11-9(6-10-4-3-5-18-10)7-14-17(11)12(13-2)16-8/h3-5,7H,6H2,1-2H3,(H,13,15,16)
InChIKeyWGRCQLHLTMNLKJ-UHFFFAOYSA-N
XLogP2.13
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.34
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-8-(thiophen-2-ylmethyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine?
The IUPAC name of N,2-dimethyl-8-(thiophen-2-ylmethyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine (CID 24874174) is N,2-dimethyl-8-(thiophen-2-ylmethyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine.
What is the SMILES notation for N,2-dimethyl-8-(thiophen-2-ylmethyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine?
The canonical SMILES for N,2-dimethyl-8-(thiophen-2-ylmethyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine is CNc1nc(C)nc2c(Cc3cccs3)cnn12.
What is the InChIKey of N,2-dimethyl-8-(thiophen-2-ylmethyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine?
The InChIKey is WGRCQLHLTMNLKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5S/c1-8-15-11-9(6-10-4-3-5-18-10)7-14-17(11)12(13-2)16-8/h3-5,7H,6H2,1-2H3,(H,13,15,16).
What are the key properties of N,2-dimethyl-8-(thiophen-2-ylmethyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine?
N,2-dimethyl-8-(thiophen-2-ylmethyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine has a molecular weight of 259.34 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-8-(thiophen-2-ylmethyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine is sourced from PubChem (CID 24874174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).