8-(furan-2-ylmethyl)-N,2-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine

C12H13N5O — CID 24874173

IUPAC8-(furan-2-ylmethyl)-N,2-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine
SMILESCNc1nc(C)nc2c(Cc3ccco3)cnn12
InChIInChI=1S/C12H13N5O/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)
InChIKeyLTYIGMKPLSBERO-UHFFFAOYSA-N
MW243.27 g/mol
LogP1.66
Rot. Bonds3

About 8-(furan-2-ylmethyl)-N,2-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine

8-(furan-2-ylmethyl)-N,2-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine (PubChem CID 24874173) has the molecular formula C12H13N5O and a molecular weight of 243.27 g/mol. Its IUPAC name is 8-(furan-2-ylmethyl)-N,2-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine.

Molecular Properties

Compound Name8-(furan-2-ylmethyl)-N,2-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine
PubChem CID24874173
Molecular FormulaC12H13N5O
Molecular Weight243.27 g/mol
Exact Mass243.11
IUPAC Name8-(furan-2-ylmethyl)-N,2-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine
SMILESCNc1nc(C)nc2c(Cc3ccco3)cnn12
InChIInChI=1S/C12H13N5O/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)
InChIKeyLTYIGMKPLSBERO-UHFFFAOYSA-N
XLogP1.66
TPSA68.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(Furan-2-yl)-1-[(3-methylphenyl)methyl]pyrazolo[3,4-d]pyrimidin-6-amine
CID 9901099
4-(Furan-2-yl)-1-(3-phenylpropyl)pyrazolo[3,4-d]pyrimidin-6-amine
CID 9944894
6-(furan-3-yl)-3-(1-methyl-1H-pyrazol-4-yl)-5-(piperidin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 16224367
4-(Furan-2-yl)-1-(2-phenylethyl)pyrazolo[3,4-d]pyrimidin-6-amine
CID 22015494
4-(Furan-2-yl)-1-(furan-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-6-amine
CID 22015533
1-(Cyclohexylmethyl)-4-(furan-2-yl)pyrazolo[3,4-d]pyrimidin-6-amine
CID 22015549
1-Benzyl-4-(furan-2-yl)pyrazolo[3,4-d]pyrimidin-6-amine
CID 22015550
4-(Furan-2-yl)-1-(pyridin-3-ylmethyl)pyrazolo[3,4-d]pyrimidin-6-amine
CID 23546899
3-(Furan-3-yl)-5-(piperidin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 53319015
1-benzyl-N-(furan-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 651202
8-(furan-3-ylmethyl)-N,2-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine
CID 24874298
4-[4-(Furan-2-yl)phenyl]-11-(2-phenylethyl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,9-pentaen-7-amine
CID 56678500

Frequently Asked Questions

What is the IUPAC name of 8-(furan-2-ylmethyl)-N,2-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine?
The IUPAC name of 8-(furan-2-ylmethyl)-N,2-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine (CID 24874173) is 8-(furan-2-ylmethyl)-N,2-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine.
What is the SMILES notation for 8-(furan-2-ylmethyl)-N,2-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine?
The canonical SMILES for 8-(furan-2-ylmethyl)-N,2-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine is CNc1nc(C)nc2c(Cc3ccco3)cnn12.
What is the InChIKey of 8-(furan-2-ylmethyl)-N,2-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine?
The InChIKey is LTYIGMKPLSBERO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5O/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 8-(furan-2-ylmethyl)-N,2-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine?
8-(furan-2-ylmethyl)-N,2-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine has a molecular weight of 243.27 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(furan-2-ylmethyl)-N,2-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine is sourced from PubChem (CID 24874173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).