[2,3-dihydro-1-benzothiophen-3-yl-(3-ethyltriazol-4-yl)methyl]hydrazine

C13H17N5S — CID 114213664

IUPAC[2,3-dihydro-1-benzothiophen-3-yl-(3-ethyltriazol-4-yl)methyl]hydrazine
SMILESCCn1nncc1C(NN)C1CSc2ccccc21
InChIInChI=1S/C13H17N5S/c1-2-18-11(7-15-17-18)13(16-14)10-8-19-12-6-4-3-5-9(10)12/h3-7,10,13,16H,2,8,14H2,1H3
InChIKeyQBLITHNZJIREOF-UHFFFAOYSA-N
MW275.38 g/mol
LogP1.69
Rot. Bonds4

About [2,3-dihydro-1-benzothiophen-3-yl-(3-ethyltriazol-4-yl)methyl]hydrazine

[2,3-dihydro-1-benzothiophen-3-yl-(3-ethyltriazol-4-yl)methyl]hydrazine (PubChem CID 114213664) has the molecular formula C13H17N5S and a molecular weight of 275.38 g/mol. Its IUPAC name is [2,3-dihydro-1-benzothiophen-3-yl-(3-ethyltriazol-4-yl)methyl]hydrazine.

Molecular Properties

Compound Name[2,3-dihydro-1-benzothiophen-3-yl-(3-ethyltriazol-4-yl)methyl]hydrazine
PubChem CID114213664
Molecular FormulaC13H17N5S
Molecular Weight275.38 g/mol
Exact Mass275.12
IUPAC Name[2,3-dihydro-1-benzothiophen-3-yl-(3-ethyltriazol-4-yl)methyl]hydrazine
SMILESCCn1nncc1C(NN)C1CSc2ccccc21
InChIInChI=1S/C13H17N5S/c1-2-18-11(7-15-17-18)13(16-14)10-8-19-12-6-4-3-5-9(10)12/h3-7,10,13,16H,2,8,14H2,1H3
InChIKeyQBLITHNZJIREOF-UHFFFAOYSA-N
XLogP1.69
TPSA68.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2,3-dihydro-1-benzothiophen-3-yl-(3-propyltriazol-4-yl)methanamine
CID 105182209
[7-bicyclo[4.2.0]octa-1,3,5-trienyl-(3-propyltriazol-4-yl)methyl]hydrazine
CID 105224717
[1-(2,3-dihydro-1-benzothiophen-3-yl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethyl]hydrazine
CID 105318516
N-[(4-bromo-1-ethylpyrazol-5-yl)-(2,3-dihydro-1-benzothiophen-3-yl)methyl]ethanamine
CID 105182896
1-(2,3-dihydro-1-benzothiophen-3-yl)-1-(1-ethylpyrazol-4-yl)-N-methylmethanamine
CID 105108762
N-[2,3-dihydro-1-benzothiophen-3-yl(phenyl)methyl]ethanamine
CID 105083790
[2,3-dihydro-1-benzothiophen-3-yl-(4-methoxyphenyl)methyl]hydrazine
CID 105286232
2,3-dihydro-1-benzothiophen-2-yl-(3-ethyltriazol-4-yl)methanamine
CID 114213470
[2,3-dihydro-1-benzothiophen-3-yl-(4-methoxy-2-methylphenyl)methyl]hydrazine
CID 105291549
1-(2,3-dihydro-1-benzothiophen-3-yl)-1-(5-ethoxy-3-pyridinyl)-N-methylmethanamine
CID 105175436
1-(2,3-dihydro-1-benzothiophen-3-yl)-1-(4-ethylphenyl)-N-methylmethanamine
CID 105121368
[cyclopropyl(2,3-dihydro-1-benzothiophen-3-yl)methyl]hydrazine
CID 105314544

Frequently Asked Questions

What is the IUPAC name of [2,3-dihydro-1-benzothiophen-3-yl-(3-ethyltriazol-4-yl)methyl]hydrazine?
The IUPAC name of [2,3-dihydro-1-benzothiophen-3-yl-(3-ethyltriazol-4-yl)methyl]hydrazine (CID 114213664) is [2,3-dihydro-1-benzothiophen-3-yl-(3-ethyltriazol-4-yl)methyl]hydrazine.
What is the SMILES notation for [2,3-dihydro-1-benzothiophen-3-yl-(3-ethyltriazol-4-yl)methyl]hydrazine?
The canonical SMILES for [2,3-dihydro-1-benzothiophen-3-yl-(3-ethyltriazol-4-yl)methyl]hydrazine is CCn1nncc1C(NN)C1CSc2ccccc21.
What is the InChIKey of [2,3-dihydro-1-benzothiophen-3-yl-(3-ethyltriazol-4-yl)methyl]hydrazine?
The InChIKey is QBLITHNZJIREOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5S/c1-2-18-11(7-15-17-18)13(16-14)10-8-19-12-6-4-3-5-9(10)12/h3-7,10,13,16H,2,8,14H2,1H3.
What are the key properties of [2,3-dihydro-1-benzothiophen-3-yl-(3-ethyltriazol-4-yl)methyl]hydrazine?
[2,3-dihydro-1-benzothiophen-3-yl-(3-ethyltriazol-4-yl)methyl]hydrazine has a molecular weight of 275.38 g/mol, XLogP of 1.69, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2,3-dihydro-1-benzothiophen-3-yl-(3-ethyltriazol-4-yl)methyl]hydrazine is sourced from PubChem (CID 114213664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).