5-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]-2H-triazol-4-amine

C10H10N6S — CID 170148129

IUPAC5-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]-2H-triazol-4-amine
SMILESCn1cc(-c2ccc(-c3n[nH]nc3N)s2)cn1
InChIInChI=1S/C10H10N6S/c1-16-5-6(4-12-16)7-2-3-8(17-7)9-10(11)14-15-13-9/h2-5H,1H3,(H3,11,13,14,15)
InChIKeyMJTLFAABQPSSNM-UHFFFAOYSA-N
MW246.30 g/mol
LogP1.52
Rot. Bonds2

About 5-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]-2H-triazol-4-amine

5-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]-2H-triazol-4-amine (PubChem CID 170148129) has the molecular formula C10H10N6S and a molecular weight of 246.30 g/mol. Its IUPAC name is 5-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]-2H-triazol-4-amine.

Molecular Properties

Compound Name5-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]-2H-triazol-4-amine
PubChem CID170148129
Molecular FormulaC10H10N6S
Molecular Weight246.30 g/mol
Exact Mass246.07
IUPAC Name5-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]-2H-triazol-4-amine
SMILESCn1cc(-c2ccc(-c3n[nH]nc3N)s2)cn1
InChIInChI=1S/C10H10N6S/c1-16-5-6(4-12-16)7-2-3-8(17-7)9-10(11)14-15-13-9/h2-5H,1H3,(H3,11,13,14,15)
InChIKeyMJTLFAABQPSSNM-UHFFFAOYSA-N
XLogP1.52
TPSA85.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.30
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(5-bromothiophen-2-yl)-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine
CID 106715705
N-[[5-(1-methylpyrazol-4-yl)thiophen-2-yl]methyl]ethanamine
CID 79778925
5-[5-[8-(trifluoromethyl)quinolin-3-yl]thiophen-2-yl]-2H-triazol-4-amine
CID 170148108
1-[[5-(1-methylpyrazol-4-yl)thiophen-2-yl]methyl]piperazine;hydrochloride
CID 120833629
6-(1-methylpyrazol-4-yl)-2-(5-methylthiophen-2-yl)pyrimidin-4-amine
CID 106716040
2-methyl-1-[[5-(1-methylpyrazol-4-yl)thiophen-2-yl]methyl]piperazine
CID 120837052
6-(1-methylpyrazol-4-yl)-3-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]imidazo[1,2-a]pyridine
CID 164628749
N-methyl-N-[[5-(1-methylpyrazol-4-yl)thiophen-2-yl]methyl]piperidin-4-amine
CID 120835285
[2-(5-bromothiophen-2-yl)-6-(1-methylpyrazol-4-yl)pyrimidin-4-yl]hydrazine
CID 106716157
(3S)-1-[[5-(1-methylpyrazol-4-yl)thiophen-2-yl]methyl]pyrrolidin-3-amine
CID 120836296
2,3-dimethyl-1-[[5-(1-methylpyrazol-4-yl)thiophen-2-yl]methyl]piperazine
CID 120843259
[2-(5-ethylthiophen-2-yl)-6-(1-methylpyrazol-4-yl)pyrimidin-4-yl]hydrazine
CID 106716236

Frequently Asked Questions

What is the IUPAC name of 5-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]-2H-triazol-4-amine?
The IUPAC name of 5-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]-2H-triazol-4-amine (CID 170148129) is 5-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]-2H-triazol-4-amine.
What is the SMILES notation for 5-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]-2H-triazol-4-amine?
The canonical SMILES for 5-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]-2H-triazol-4-amine is Cn1cc(-c2ccc(-c3n[nH]nc3N)s2)cn1.
What is the InChIKey of 5-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]-2H-triazol-4-amine?
The InChIKey is MJTLFAABQPSSNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N6S/c1-16-5-6(4-12-16)7-2-3-8(17-7)9-10(11)14-15-13-9/h2-5H,1H3,(H3,11,13,14,15).
What are the key properties of 5-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]-2H-triazol-4-amine?
5-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]-2H-triazol-4-amine has a molecular weight of 246.30 g/mol, XLogP of 1.52, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]-2H-triazol-4-amine is sourced from PubChem (CID 170148129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).