(1-ethylthieno[2,3-d]pyrazol-5-yl)methanamine;hydrochloride

C8H12ClN3S — CID 67306539

IUPAC(1-ethylthieno[2,3-d]pyrazol-5-yl)methanamine;hydrochloride
SMILESCCn1ncc2sc(CN)cc21.Cl
InChIInChI=1S/C8H11N3S.ClH/c1-2-11-7-3-6(4-9)12-8(7)5-10-11;/h3,5H,2,4,9H2,1H3;1H
InChIKeyWLIFXHPTOYQOTP-UHFFFAOYSA-N
MW217.72 g/mol
LogP2.00
Rot. Bonds2

About (1-ethylthieno[2,3-d]pyrazol-5-yl)methanamine;hydrochloride

(1-ethylthieno[2,3-d]pyrazol-5-yl)methanamine;hydrochloride (PubChem CID 67306539) has the molecular formula C8H12ClN3S and a molecular weight of 217.72 g/mol. Its IUPAC name is (1-ethylthieno[2,3-d]pyrazol-5-yl)methanamine;hydrochloride.

Molecular Properties

Compound Name(1-ethylthieno[2,3-d]pyrazol-5-yl)methanamine;hydrochloride
PubChem CID67306539
Molecular FormulaC8H12ClN3S
Molecular Weight217.72 g/mol
Exact Mass217.04
IUPAC Name(1-ethylthieno[2,3-d]pyrazol-5-yl)methanamine;hydrochloride
SMILESCCn1ncc2sc(CN)cc21.Cl
InChIInChI=1S/C8H11N3S.ClH/c1-2-11-7-3-6(4-9)12-8(7)5-10-11;/h3,5H,2,4,9H2,1H3;1H
InChIKeyWLIFXHPTOYQOTP-UHFFFAOYSA-N
XLogP2.00
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.72
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1-ethylthieno[2,3-d]pyrazol-5-yl)methanamine;hydrochloride?
The IUPAC name of (1-ethylthieno[2,3-d]pyrazol-5-yl)methanamine;hydrochloride (CID 67306539) is (1-ethylthieno[2,3-d]pyrazol-5-yl)methanamine;hydrochloride.
What is the SMILES notation for (1-ethylthieno[2,3-d]pyrazol-5-yl)methanamine;hydrochloride?
The canonical SMILES for (1-ethylthieno[2,3-d]pyrazol-5-yl)methanamine;hydrochloride is CCn1ncc2sc(CN)cc21.Cl.
What is the InChIKey of (1-ethylthieno[2,3-d]pyrazol-5-yl)methanamine;hydrochloride?
The InChIKey is WLIFXHPTOYQOTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3S.ClH/c1-2-11-7-3-6(4-9)12-8(7)5-10-11;/h3,5H,2,4,9H2,1H3;1H.
What are the key properties of (1-ethylthieno[2,3-d]pyrazol-5-yl)methanamine;hydrochloride?
(1-ethylthieno[2,3-d]pyrazol-5-yl)methanamine;hydrochloride has a molecular weight of 217.72 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylthieno[2,3-d]pyrazol-5-yl)methanamine;hydrochloride is sourced from PubChem (CID 67306539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).