N,N-diethyl-2-methylsulfanylpyrazolo[1,5-a][1,3,5]triazin-4-amine

C10H15N5S — CID 12916116

IUPACN,N-diethyl-2-methylsulfanylpyrazolo[1,5-a][1,3,5]triazin-4-amine
SMILESCCN(CC)c1nc(SC)nc2ccnn12
InChIInChI=1S/C10H15N5S/c1-4-14(5-2)10-13-9(16-3)12-8-6-7-11-15(8)10/h6-7H,4-5H2,1-3H3
InChIKeyKRXOEEAQIURLRX-UHFFFAOYSA-N
MW237.33 g/mol
LogP1.69
Rot. Bonds4

About N,N-diethyl-2-methylsulfanylpyrazolo[1,5-a][1,3,5]triazin-4-amine

N,N-diethyl-2-methylsulfanylpyrazolo[1,5-a][1,3,5]triazin-4-amine (PubChem CID 12916116) has the molecular formula C10H15N5S and a molecular weight of 237.33 g/mol. Its IUPAC name is N,N-diethyl-2-methylsulfanylpyrazolo[1,5-a][1,3,5]triazin-4-amine.

Molecular Properties

Compound NameN,N-diethyl-2-methylsulfanylpyrazolo[1,5-a][1,3,5]triazin-4-amine
PubChem CID12916116
Molecular FormulaC10H15N5S
Molecular Weight237.33 g/mol
Exact Mass237.10
IUPAC NameN,N-diethyl-2-methylsulfanylpyrazolo[1,5-a][1,3,5]triazin-4-amine
SMILESCCN(CC)c1nc(SC)nc2ccnn12
InChIInChI=1S/C10H15N5S/c1-4-14(5-2)10-13-9(16-3)12-8-6-7-11-15(8)10/h6-7H,4-5H2,1-3H3
InChIKeyKRXOEEAQIURLRX-UHFFFAOYSA-N
XLogP1.69
TPSA46.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.33
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-methylsulfanylpyrazolo[1,5-a][1,3,5]triazin-4-amine?
The IUPAC name of N,N-diethyl-2-methylsulfanylpyrazolo[1,5-a][1,3,5]triazin-4-amine (CID 12916116) is N,N-diethyl-2-methylsulfanylpyrazolo[1,5-a][1,3,5]triazin-4-amine.
What is the SMILES notation for N,N-diethyl-2-methylsulfanylpyrazolo[1,5-a][1,3,5]triazin-4-amine?
The canonical SMILES for N,N-diethyl-2-methylsulfanylpyrazolo[1,5-a][1,3,5]triazin-4-amine is CCN(CC)c1nc(SC)nc2ccnn12.
What is the InChIKey of N,N-diethyl-2-methylsulfanylpyrazolo[1,5-a][1,3,5]triazin-4-amine?
The InChIKey is KRXOEEAQIURLRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5S/c1-4-14(5-2)10-13-9(16-3)12-8-6-7-11-15(8)10/h6-7H,4-5H2,1-3H3.
What are the key properties of N,N-diethyl-2-methylsulfanylpyrazolo[1,5-a][1,3,5]triazin-4-amine?
N,N-diethyl-2-methylsulfanylpyrazolo[1,5-a][1,3,5]triazin-4-amine has a molecular weight of 237.33 g/mol, XLogP of 1.69, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-methylsulfanylpyrazolo[1,5-a][1,3,5]triazin-4-amine is sourced from PubChem (CID 12916116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).