N-(2-hydroxyethyl)-N,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide

C10H15N5O3S — CID 714975

IUPACN-(2-hydroxyethyl)-N,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide
SMILESCc1cc(C)n2nc(S(=O)(=O)N(C)CCO)nc2n1
InChIInChI=1S/C10H15N5O3S/c1-7-6-8(2)15-9(11-7)12-10(13-15)19(17,18)14(3)4-5-16/h6,16H,4-5H2,1-3H3
InChIKeyVDEKIEUOZMSYFT-UHFFFAOYSA-N
MW285.33 g/mol
LogP-0.65
Rot. Bonds4

About N-(2-hydroxyethyl)-N,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide

N-(2-hydroxyethyl)-N,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide (PubChem CID 714975) has the molecular formula C10H15N5O3S and a molecular weight of 285.33 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-N,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-N,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide
PubChem CID714975
Molecular FormulaC10H15N5O3S
Molecular Weight285.33 g/mol
Exact Mass285.09
IUPAC NameN-(2-hydroxyethyl)-N,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide
SMILESCc1cc(C)n2nc(S(=O)(=O)N(C)CCO)nc2n1
InChIInChI=1S/C10H15N5O3S/c1-7-6-8(2)15-9(11-7)12-10(13-15)19(17,18)14(3)4-5-16/h6,16H,4-5H2,1-3H3
InChIKeyVDEKIEUOZMSYFT-UHFFFAOYSA-N
XLogP-0.65
TPSA100.69 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.33
LogP ≤ 5-0.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-N,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide?
The IUPAC name of N-(2-hydroxyethyl)-N,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide (CID 714975) is N-(2-hydroxyethyl)-N,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide.
What is the SMILES notation for N-(2-hydroxyethyl)-N,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide?
The canonical SMILES for N-(2-hydroxyethyl)-N,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide is Cc1cc(C)n2nc(S(=O)(=O)N(C)CCO)nc2n1.
What is the InChIKey of N-(2-hydroxyethyl)-N,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide?
The InChIKey is VDEKIEUOZMSYFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O3S/c1-7-6-8(2)15-9(11-7)12-10(13-15)19(17,18)14(3)4-5-16/h6,16H,4-5H2,1-3H3.
What are the key properties of N-(2-hydroxyethyl)-N,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide?
N-(2-hydroxyethyl)-N,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide has a molecular weight of 285.33 g/mol, XLogP of -0.65, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-N,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide is sourced from PubChem (CID 714975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).