5-(dipropylsulfamoylamino)-3-ethoxy-1H-1,2,4-triazole

C10H21N5O3S — CID 104818505

IUPAC5-(dipropylsulfamoylamino)-3-ethoxy-1H-1,2,4-triazole
SMILESCCCN(CCC)S(=O)(=O)Nc1nc(OCC)n[nH]1
InChIInChI=1S/C10H21N5O3S/c1-4-7-15(8-5-2)19(16,17)14-9-11-10(13-12-9)18-6-3/h4-8H2,1-3H3,(H2,11,12,13,14)
InChIKeyRTWDZVUCBLNSAL-UHFFFAOYSA-N
MW291.38 g/mol
LogP0.98
Rot. Bonds9

About 5-(dipropylsulfamoylamino)-3-ethoxy-1H-1,2,4-triazole

5-(dipropylsulfamoylamino)-3-ethoxy-1H-1,2,4-triazole (PubChem CID 104818505) has the molecular formula C10H21N5O3S and a molecular weight of 291.38 g/mol. Its IUPAC name is 5-(dipropylsulfamoylamino)-3-ethoxy-1H-1,2,4-triazole.

Molecular Properties

Compound Name5-(dipropylsulfamoylamino)-3-ethoxy-1H-1,2,4-triazole
PubChem CID104818505
Molecular FormulaC10H21N5O3S
Molecular Weight291.38 g/mol
Exact Mass291.14
IUPAC Name5-(dipropylsulfamoylamino)-3-ethoxy-1H-1,2,4-triazole
SMILESCCCN(CCC)S(=O)(=O)Nc1nc(OCC)n[nH]1
InChIInChI=1S/C10H21N5O3S/c1-4-7-15(8-5-2)19(16,17)14-9-11-10(13-12-9)18-6-3/h4-8H2,1-3H3,(H2,11,12,13,14)
InChIKeyRTWDZVUCBLNSAL-UHFFFAOYSA-N
XLogP0.98
TPSA100.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(dipropylsulfamoylamino)-3-ethoxy-1H-1,2,4-triazole?
The IUPAC name of 5-(dipropylsulfamoylamino)-3-ethoxy-1H-1,2,4-triazole (CID 104818505) is 5-(dipropylsulfamoylamino)-3-ethoxy-1H-1,2,4-triazole.
What is the SMILES notation for 5-(dipropylsulfamoylamino)-3-ethoxy-1H-1,2,4-triazole?
The canonical SMILES for 5-(dipropylsulfamoylamino)-3-ethoxy-1H-1,2,4-triazole is CCCN(CCC)S(=O)(=O)Nc1nc(OCC)n[nH]1.
What is the InChIKey of 5-(dipropylsulfamoylamino)-3-ethoxy-1H-1,2,4-triazole?
The InChIKey is RTWDZVUCBLNSAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N5O3S/c1-4-7-15(8-5-2)19(16,17)14-9-11-10(13-12-9)18-6-3/h4-8H2,1-3H3,(H2,11,12,13,14).
What are the key properties of 5-(dipropylsulfamoylamino)-3-ethoxy-1H-1,2,4-triazole?
5-(dipropylsulfamoylamino)-3-ethoxy-1H-1,2,4-triazole has a molecular weight of 291.38 g/mol, XLogP of 0.98, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dipropylsulfamoylamino)-3-ethoxy-1H-1,2,4-triazole is sourced from PubChem (CID 104818505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).