N-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methyl]propan-2-amine

C10H14N4S — CID 62732833

IUPACN-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methyl]propan-2-amine
SMILESCC(C)NCc1nc(-c2cccs2)n[nH]1
InChIInChI=1S/C10H14N4S/c1-7(2)11-6-9-12-10(14-13-9)8-4-3-5-15-8/h3-5,7,11H,6H2,1-2H3,(H,12,13,14)
InChIKeyFNFJHEVJFFHBOD-UHFFFAOYSA-N
MW222.32 g/mol
LogP2.03
Rot. Bonds4

About N-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methyl]propan-2-amine

N-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methyl]propan-2-amine (PubChem CID 62732833) has the molecular formula C10H14N4S and a molecular weight of 222.32 g/mol. Its IUPAC name is N-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methyl]propan-2-amine
PubChem CID62732833
Molecular FormulaC10H14N4S
Molecular Weight222.32 g/mol
Exact Mass222.09
IUPAC NameN-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methyl]propan-2-amine
SMILESCC(C)NCc1nc(-c2cccs2)n[nH]1
InChIInChI=1S/C10H14N4S/c1-7(2)11-6-9-12-10(14-13-9)8-4-3-5-15-8/h3-5,7,11H,6H2,1-2H3,(H,12,13,14)
InChIKeyFNFJHEVJFFHBOD-UHFFFAOYSA-N
XLogP2.03
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.32
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methyl]propan-2-amine?
The IUPAC name of N-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methyl]propan-2-amine (CID 62732833) is N-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methyl]propan-2-amine.
What is the SMILES notation for N-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methyl]propan-2-amine?
The canonical SMILES for N-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methyl]propan-2-amine is CC(C)NCc1nc(-c2cccs2)n[nH]1.
What is the InChIKey of N-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methyl]propan-2-amine?
The InChIKey is FNFJHEVJFFHBOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4S/c1-7(2)11-6-9-12-10(14-13-9)8-4-3-5-15-8/h3-5,7,11H,6H2,1-2H3,(H,12,13,14).
What are the key properties of N-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methyl]propan-2-amine?
N-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methyl]propan-2-amine has a molecular weight of 222.32 g/mol, XLogP of 2.03, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methyl]propan-2-amine is sourced from PubChem (CID 62732833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).