3-(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-4-propyl-1H-1,2,4-triazol-5-one

C11H13N7OS2 — CID 103336601

IUPAC3-(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-4-propyl-1H-1,2,4-triazol-5-one
SMILESCCCn1c(Sc2nc(NN)nc3sccc23)n[nH]c1=O
InChIInChI=1S/C11H13N7OS2/c1-2-4-18-10(19)16-17-11(18)21-8-6-3-5-20-7(6)13-9(14-8)15-12/h3,5H,2,4,12H2,1H3,(H,16,19)(H,13,14,15)
InChIKeyIUVXAXNASQQQJY-UHFFFAOYSA-N
MW323.41 g/mol
LogP1.42
Rot. Bonds5

About 3-(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-4-propyl-1H-1,2,4-triazol-5-one

3-(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-4-propyl-1H-1,2,4-triazol-5-one (PubChem CID 103336601) has the molecular formula C11H13N7OS2 and a molecular weight of 323.41 g/mol. Its IUPAC name is 3-(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-4-propyl-1H-1,2,4-triazol-5-one.

Molecular Properties

Compound Name3-(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-4-propyl-1H-1,2,4-triazol-5-one
PubChem CID103336601
Molecular FormulaC11H13N7OS2
Molecular Weight323.41 g/mol
Exact Mass323.06
IUPAC Name3-(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-4-propyl-1H-1,2,4-triazol-5-one
SMILESCCCn1c(Sc2nc(NN)nc3sccc23)n[nH]c1=O
InChIInChI=1S/C11H13N7OS2/c1-2-4-18-10(19)16-17-11(18)21-8-6-3-5-20-7(6)13-9(14-8)15-12/h3,5H,2,4,12H2,1H3,(H,16,19)(H,13,14,15)
InChIKeyIUVXAXNASQQQJY-UHFFFAOYSA-N
XLogP1.42
TPSA114.51 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.41
LogP ≤ 51.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-4-propyl-1H-1,2,4-triazol-5-one with MolForge

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Related Compounds

3-[(4-aminothieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]-4-propyl-1H-1,2,4-triazol-5-one
CID 62882605
[4-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]thieno[2,3-d]pyrimidin-2-yl]hydrazine
CID 103336692
3-(2-aminoquinazolin-4-yl)sulfanyl-4-propyl-1H-1,2,4-triazol-5-one
CID 80883153
3-[(6-hydrazinyl-2-pyridinyl)sulfanyl]-4-propyl-1H-1,2,4-triazol-5-one
CID 80928895
(4-methylsulfanylthieno[2,3-d]pyrimidin-2-yl)hydrazine
CID 103336570
[4-(1-methylpyrazol-4-yl)sulfanylthieno[2,3-d]pyrimidin-2-yl]hydrazine
CID 103336586
3-[(3-amino-6-chloro-2-pyridinyl)sulfanyl]-4-propyl-1H-1,2,4-triazol-5-one
CID 113317092
3-(3-aminoquinoxalin-2-yl)sulfanyl-4-propyl-1H-1,2,4-triazol-5-one
CID 102988910
(4-phenylsulfanylthieno[2,3-d]pyrimidin-2-yl)hydrazine
CID 103336515
[4-(2-methylfuran-3-yl)sulfanylthieno[2,3-d]pyrimidin-2-yl]hydrazine
CID 107785418
4-propyl-3-[(3,5,6-trichloro-2-pyridinyl)sulfanyl]-1H-1,2,4-triazol-5-one
CID 102752352
3-[[5-(aminomethyl)-3-methyl-2-pyridinyl]sulfanyl]-4-propyl-1H-1,2,4-triazol-5-one
CID 80650643

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-4-propyl-1H-1,2,4-triazol-5-one?
The IUPAC name of 3-(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-4-propyl-1H-1,2,4-triazol-5-one (CID 103336601) is 3-(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-4-propyl-1H-1,2,4-triazol-5-one.
What is the SMILES notation for 3-(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-4-propyl-1H-1,2,4-triazol-5-one?
The canonical SMILES for 3-(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-4-propyl-1H-1,2,4-triazol-5-one is CCCn1c(Sc2nc(NN)nc3sccc23)n[nH]c1=O.
What is the InChIKey of 3-(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-4-propyl-1H-1,2,4-triazol-5-one?
The InChIKey is IUVXAXNASQQQJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N7OS2/c1-2-4-18-10(19)16-17-11(18)21-8-6-3-5-20-7(6)13-9(14-8)15-12/h3,5H,2,4,12H2,1H3,(H,16,19)(H,13,14,15).
What are the key properties of 3-(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-4-propyl-1H-1,2,4-triazol-5-one?
3-(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-4-propyl-1H-1,2,4-triazol-5-one has a molecular weight of 323.41 g/mol, XLogP of 1.42, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-4-propyl-1H-1,2,4-triazol-5-one is sourced from PubChem (CID 103336601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).