3-(4-amino-1-ethylpyrazol-3-yl)-4-cyclopropyl-1H-1,2,4-triazole-5-thione

C10H14N6S — CID 4774700

IUPAC3-(4-amino-1-ethylpyrazol-3-yl)-4-cyclopropyl-1H-1,2,4-triazole-5-thione
SMILESCCn1cc(N)c(-c2n[nH]c(=S)n2C2CC2)n1
InChIInChI=1S/C10H14N6S/c1-2-15-5-7(11)8(14-15)9-12-13-10(17)16(9)6-3-4-6/h5-6H,2-4,11H2,1H3,(H,13,17)
InChIKeyIYQTXKSRKKVUOC-UHFFFAOYSA-N
MW250.33 g/mol
LogP1.74
Rot. Bonds3

About 3-(4-amino-1-ethylpyrazol-3-yl)-4-cyclopropyl-1H-1,2,4-triazole-5-thione

3-(4-amino-1-ethylpyrazol-3-yl)-4-cyclopropyl-1H-1,2,4-triazole-5-thione (PubChem CID 4774700) has the molecular formula C10H14N6S and a molecular weight of 250.33 g/mol. Its IUPAC name is 3-(4-amino-1-ethylpyrazol-3-yl)-4-cyclopropyl-1H-1,2,4-triazole-5-thione.

Molecular Properties

Compound Name3-(4-amino-1-ethylpyrazol-3-yl)-4-cyclopropyl-1H-1,2,4-triazole-5-thione
PubChem CID4774700
Molecular FormulaC10H14N6S
Molecular Weight250.33 g/mol
Exact Mass250.10
IUPAC Name3-(4-amino-1-ethylpyrazol-3-yl)-4-cyclopropyl-1H-1,2,4-triazole-5-thione
SMILESCCn1cc(N)c(-c2n[nH]c(=S)n2C2CC2)n1
InChIInChI=1S/C10H14N6S/c1-2-15-5-7(11)8(14-15)9-12-13-10(17)16(9)6-3-4-6/h5-6H,2-4,11H2,1H3,(H,13,17)
InChIKeyIYQTXKSRKKVUOC-UHFFFAOYSA-N
XLogP1.74
TPSA77.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.33
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

5-(4-chloro-1-methyl-1H-pyrazol-3-yl)-4-ethyl-4H-1,2,4-triazole-3-thiol
CID 842831
4-butyl-5-(4-chloro-1-methyl-1H-pyrazol-3-yl)-4H-1,2,4-triazole-3-thiol
CID 5050469
3-(1,3-Dimethyl-1H-pyrazol-4-yl)-4-ethyl-1H-1,2,4-triazole-5(4H)-thione
CID 842864
4-(1,3-dimethyl-1H-pyrazol-4-yl)-5-[1-(4-methyl-1H-pyrazol-1-yl)ethyl]-4H-1,2,4-triazole-3-thiol
CID 4775569
4-methyl-5-(1-methyl-1H-pyrazol-5-yl)-4H-1,2,4-triazole-3-thiol
CID 4775293
1-(1-Cyclopropyl-5-methylpyrazol-4-yl)-2-methylguanidine
CID 156305129
4-(1-ethyl-5-methyl-1H-pyrazol-4-yl)-5-[(5-methyl-1H-pyrazol-1-yl)methyl]-4H-1,2,4-triazole-3-thiol
CID 4727886
N-Cyclopropyl-N'-(1,3-dimethyl-1H-pyrazol-4-YL)thiourea
CID 4767640
3-(4-bromo-1-methylpyrazol-3-yl)-4-cyclopropyl-1H-1,2,4-triazole-5-thione
CID 4774743
5-(4-chloro-1-methyl-1H-pyrazol-5-yl)-4-cyclopropyl-4H-1,2,4-triazole-3-thiol
CID 4774761
5-(4-bromo-1-methyl-1H-pyrazol-5-yl)-4-cyclopropyl-4H-1,2,4-triazole-3-thiol
CID 4774833
4-cyclopropyl-5-(1H-pyrazol-5-yl)-4H-1,2,4-triazole-3-thiol
CID 4774909

Frequently Asked Questions

What is the IUPAC name of 3-(4-amino-1-ethylpyrazol-3-yl)-4-cyclopropyl-1H-1,2,4-triazole-5-thione?
The IUPAC name of 3-(4-amino-1-ethylpyrazol-3-yl)-4-cyclopropyl-1H-1,2,4-triazole-5-thione (CID 4774700) is 3-(4-amino-1-ethylpyrazol-3-yl)-4-cyclopropyl-1H-1,2,4-triazole-5-thione.
What is the SMILES notation for 3-(4-amino-1-ethylpyrazol-3-yl)-4-cyclopropyl-1H-1,2,4-triazole-5-thione?
The canonical SMILES for 3-(4-amino-1-ethylpyrazol-3-yl)-4-cyclopropyl-1H-1,2,4-triazole-5-thione is CCn1cc(N)c(-c2n[nH]c(=S)n2C2CC2)n1.
What is the InChIKey of 3-(4-amino-1-ethylpyrazol-3-yl)-4-cyclopropyl-1H-1,2,4-triazole-5-thione?
The InChIKey is IYQTXKSRKKVUOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6S/c1-2-15-5-7(11)8(14-15)9-12-13-10(17)16(9)6-3-4-6/h5-6H,2-4,11H2,1H3,(H,13,17).
What are the key properties of 3-(4-amino-1-ethylpyrazol-3-yl)-4-cyclopropyl-1H-1,2,4-triazole-5-thione?
3-(4-amino-1-ethylpyrazol-3-yl)-4-cyclopropyl-1H-1,2,4-triazole-5-thione has a molecular weight of 250.33 g/mol, XLogP of 1.74, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-amino-1-ethylpyrazol-3-yl)-4-cyclopropyl-1H-1,2,4-triazole-5-thione is sourced from PubChem (CID 4774700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).