4-cyclopropyl-3-[2-(ethylamino)propylsulfanyl]-1H-1,2,4-triazol-5-one

C10H18N4OS — CID 64631971

IUPAC4-cyclopropyl-3-[2-(ethylamino)propylsulfanyl]-1H-1,2,4-triazol-5-one
SMILESCCNC(C)CSc1n[nH]c(=O)n1C1CC1
InChIInChI=1S/C10H18N4OS/c1-3-11-7(2)6-16-10-13-12-9(15)14(10)8-4-5-8/h7-8,11H,3-6H2,1-2H3,(H,12,15)
InChIKeyVCRCOJWGMPTHAQ-UHFFFAOYSA-N
MW242.35 g/mol
LogP1.00
Rot. Bonds6

About 4-cyclopropyl-3-[2-(ethylamino)propylsulfanyl]-1H-1,2,4-triazol-5-one

4-cyclopropyl-3-[2-(ethylamino)propylsulfanyl]-1H-1,2,4-triazol-5-one (PubChem CID 64631971) has the molecular formula C10H18N4OS and a molecular weight of 242.35 g/mol. Its IUPAC name is 4-cyclopropyl-3-[2-(ethylamino)propylsulfanyl]-1H-1,2,4-triazol-5-one.

Molecular Properties

Compound Name4-cyclopropyl-3-[2-(ethylamino)propylsulfanyl]-1H-1,2,4-triazol-5-one
PubChem CID64631971
Molecular FormulaC10H18N4OS
Molecular Weight242.35 g/mol
Exact Mass242.12
IUPAC Name4-cyclopropyl-3-[2-(ethylamino)propylsulfanyl]-1H-1,2,4-triazol-5-one
SMILESCCNC(C)CSc1n[nH]c(=O)n1C1CC1
InChIInChI=1S/C10H18N4OS/c1-3-11-7(2)6-16-10-13-12-9(15)14(10)8-4-5-8/h7-8,11H,3-6H2,1-2H3,(H,12,15)
InChIKeyVCRCOJWGMPTHAQ-UHFFFAOYSA-N
XLogP1.00
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.35
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-3-[2-(ethylamino)propylsulfanyl]-1H-1,2,4-triazol-5-one?
The IUPAC name of 4-cyclopropyl-3-[2-(ethylamino)propylsulfanyl]-1H-1,2,4-triazol-5-one (CID 64631971) is 4-cyclopropyl-3-[2-(ethylamino)propylsulfanyl]-1H-1,2,4-triazol-5-one.
What is the SMILES notation for 4-cyclopropyl-3-[2-(ethylamino)propylsulfanyl]-1H-1,2,4-triazol-5-one?
The canonical SMILES for 4-cyclopropyl-3-[2-(ethylamino)propylsulfanyl]-1H-1,2,4-triazol-5-one is CCNC(C)CSc1n[nH]c(=O)n1C1CC1.
What is the InChIKey of 4-cyclopropyl-3-[2-(ethylamino)propylsulfanyl]-1H-1,2,4-triazol-5-one?
The InChIKey is VCRCOJWGMPTHAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4OS/c1-3-11-7(2)6-16-10-13-12-9(15)14(10)8-4-5-8/h7-8,11H,3-6H2,1-2H3,(H,12,15).
What are the key properties of 4-cyclopropyl-3-[2-(ethylamino)propylsulfanyl]-1H-1,2,4-triazol-5-one?
4-cyclopropyl-3-[2-(ethylamino)propylsulfanyl]-1H-1,2,4-triazol-5-one has a molecular weight of 242.35 g/mol, XLogP of 1.00, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-3-[2-(ethylamino)propylsulfanyl]-1H-1,2,4-triazol-5-one is sourced from PubChem (CID 64631971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).