N-(2-methoxyethyl)-2-methylsulfonylpyrazolo[1,5-a][1,3,5]triazin-4-amine

C9H13N5O3S — CID 141294822

IUPACN-(2-methoxyethyl)-2-methylsulfonylpyrazolo[1,5-a][1,3,5]triazin-4-amine
SMILESCOCCNc1nc(S(C)(=O)=O)nc2ccnn12
InChIInChI=1S/C9H13N5O3S/c1-17-6-5-10-8-13-9(18(2,15)16)12-7-3-4-11-14(7)8/h3-4H,5-6H2,1-2H3,(H,10,12,13)
InChIKeyVJBNNEPFQQYBHH-UHFFFAOYSA-N
MW271.30 g/mol
LogP-0.41
Rot. Bonds5

About N-(2-methoxyethyl)-2-methylsulfonylpyrazolo[1,5-a][1,3,5]triazin-4-amine

N-(2-methoxyethyl)-2-methylsulfonylpyrazolo[1,5-a][1,3,5]triazin-4-amine (PubChem CID 141294822) has the molecular formula C9H13N5O3S and a molecular weight of 271.30 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-methylsulfonylpyrazolo[1,5-a][1,3,5]triazin-4-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-methylsulfonylpyrazolo[1,5-a][1,3,5]triazin-4-amine
PubChem CID141294822
Molecular FormulaC9H13N5O3S
Molecular Weight271.30 g/mol
Exact Mass271.07
IUPAC NameN-(2-methoxyethyl)-2-methylsulfonylpyrazolo[1,5-a][1,3,5]triazin-4-amine
SMILESCOCCNc1nc(S(C)(=O)=O)nc2ccnn12
InChIInChI=1S/C9H13N5O3S/c1-17-6-5-10-8-13-9(18(2,15)16)12-7-3-4-11-14(7)8/h3-4H,5-6H2,1-2H3,(H,10,12,13)
InChIKeyVJBNNEPFQQYBHH-UHFFFAOYSA-N
XLogP-0.41
TPSA98.48 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.30
LogP ≤ 5-0.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-methylsulfonylpyrazolo[1,5-a][1,3,5]triazin-4-amine?
The IUPAC name of N-(2-methoxyethyl)-2-methylsulfonylpyrazolo[1,5-a][1,3,5]triazin-4-amine (CID 141294822) is N-(2-methoxyethyl)-2-methylsulfonylpyrazolo[1,5-a][1,3,5]triazin-4-amine.
What is the SMILES notation for N-(2-methoxyethyl)-2-methylsulfonylpyrazolo[1,5-a][1,3,5]triazin-4-amine?
The canonical SMILES for N-(2-methoxyethyl)-2-methylsulfonylpyrazolo[1,5-a][1,3,5]triazin-4-amine is COCCNc1nc(S(C)(=O)=O)nc2ccnn12.
What is the InChIKey of N-(2-methoxyethyl)-2-methylsulfonylpyrazolo[1,5-a][1,3,5]triazin-4-amine?
The InChIKey is VJBNNEPFQQYBHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5O3S/c1-17-6-5-10-8-13-9(18(2,15)16)12-7-3-4-11-14(7)8/h3-4H,5-6H2,1-2H3,(H,10,12,13).
What are the key properties of N-(2-methoxyethyl)-2-methylsulfonylpyrazolo[1,5-a][1,3,5]triazin-4-amine?
N-(2-methoxyethyl)-2-methylsulfonylpyrazolo[1,5-a][1,3,5]triazin-4-amine has a molecular weight of 271.30 g/mol, XLogP of -0.41, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-methylsulfonylpyrazolo[1,5-a][1,3,5]triazin-4-amine is sourced from PubChem (CID 141294822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).