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

C12H13N5O — CID 24874298

IUPAC8-(furan-3-ylmethyl)-N,2-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine
SMILESCNc1nc(C)nc2c(Cc3ccoc3)cnn12
InChIInChI=1S/C12H13N5O/c1-8-15-11-10(5-9-3-4-18-7-9)6-14-17(11)12(13-2)16-8/h3-4,6-7H,5H2,1-2H3,(H,13,15,16)
InChIKeyKBURSCBUDJMAJT-UHFFFAOYSA-N
MW243.27 g/mol
LogP1.66
Rot. Bonds3

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

8-(furan-3-ylmethyl)-N,2-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine (PubChem CID 24874298) has the molecular formula C12H13N5O and a molecular weight of 243.27 g/mol. Its IUPAC name is 8-(furan-3-ylmethyl)-N,2-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine.

Molecular Properties

Compound Name8-(furan-3-ylmethyl)-N,2-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine
PubChem CID24874298
Molecular FormulaC12H13N5O
Molecular Weight243.27 g/mol
Exact Mass243.11
IUPAC Name8-(furan-3-ylmethyl)-N,2-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine
SMILESCNc1nc(C)nc2c(Cc3ccoc3)cnn12
InChIInChI=1S/C12H13N5O/c1-8-15-11-10(5-9-3-4-18-7-9)6-14-17(11)12(13-2)16-8/h3-4,6-7H,5H2,1-2H3,(H,13,15,16)
InChIKeyKBURSCBUDJMAJT-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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Frequently Asked Questions

What is the IUPAC name of 8-(furan-3-ylmethyl)-N,2-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine?
The IUPAC name of 8-(furan-3-ylmethyl)-N,2-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine (CID 24874298) is 8-(furan-3-ylmethyl)-N,2-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine.
What is the SMILES notation for 8-(furan-3-ylmethyl)-N,2-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine?
The canonical SMILES for 8-(furan-3-ylmethyl)-N,2-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine is CNc1nc(C)nc2c(Cc3ccoc3)cnn12.
What is the InChIKey of 8-(furan-3-ylmethyl)-N,2-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine?
The InChIKey is KBURSCBUDJMAJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5O/c1-8-15-11-10(5-9-3-4-18-7-9)6-14-17(11)12(13-2)16-8/h3-4,6-7H,5H2,1-2H3,(H,13,15,16).
What are the key properties of 8-(furan-3-ylmethyl)-N,2-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine?
8-(furan-3-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-3-ylmethyl)-N,2-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine is sourced from PubChem (CID 24874298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).