2-ethyl-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazol-3-amine

C8H13N3S — CID 105440802

IUPAC2-ethyl-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazol-3-amine
SMILESCCn1nc2c(c1N)CSCC2
InChIInChI=1S/C8H13N3S/c1-2-11-8(9)6-5-12-4-3-7(6)10-11/h2-5,9H2,1H3
InChIKeyDSAOJCPZZIATNX-UHFFFAOYSA-N
MW183.28 g/mol
LogP1.27
Rot. Bonds1

About 2-ethyl-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazol-3-amine

2-ethyl-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazol-3-amine (PubChem CID 105440802) has the molecular formula C8H13N3S and a molecular weight of 183.28 g/mol. Its IUPAC name is 2-ethyl-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazol-3-amine.

Molecular Properties

Compound Name2-ethyl-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazol-3-amine
PubChem CID105440802
Molecular FormulaC8H13N3S
Molecular Weight183.28 g/mol
Exact Mass183.08
IUPAC Name2-ethyl-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazol-3-amine
SMILESCCn1nc2c(c1N)CSCC2
InChIInChI=1S/C8H13N3S/c1-2-11-8(9)6-5-12-4-3-7(6)10-11/h2-5,9H2,1H3
InChIKeyDSAOJCPZZIATNX-UHFFFAOYSA-N
XLogP1.27
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.28
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazol-3-amine?
The IUPAC name of 2-ethyl-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazol-3-amine (CID 105440802) is 2-ethyl-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazol-3-amine.
What is the SMILES notation for 2-ethyl-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazol-3-amine?
The canonical SMILES for 2-ethyl-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazol-3-amine is CCn1nc2c(c1N)CSCC2.
What is the InChIKey of 2-ethyl-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazol-3-amine?
The InChIKey is DSAOJCPZZIATNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3S/c1-2-11-8(9)6-5-12-4-3-7(6)10-11/h2-5,9H2,1H3.
What are the key properties of 2-ethyl-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazol-3-amine?
2-ethyl-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazol-3-amine has a molecular weight of 183.28 g/mol, XLogP of 1.27, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazol-3-amine is sourced from PubChem (CID 105440802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).