5-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)thiophen-2-amine

C9H10N4S — CID 61336985

IUPAC5-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)thiophen-2-amine
SMILESNc1ccc(-c2n[nH]c(C3CC3)n2)s1
InChIInChI=1S/C9H10N4S/c10-7-4-3-6(14-7)9-11-8(12-13-9)5-1-2-5/h3-5H,1-2,10H2,(H,11,12,13)
InChIKeyLYRIQILCUHQZLP-UHFFFAOYSA-N
MW206.27 g/mol
LogP1.99
Rot. Bonds2

About 5-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)thiophen-2-amine

5-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)thiophen-2-amine (PubChem CID 61336985) has the molecular formula C9H10N4S and a molecular weight of 206.27 g/mol. Its IUPAC name is 5-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)thiophen-2-amine.

Molecular Properties

Compound Name5-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)thiophen-2-amine
PubChem CID61336985
Molecular FormulaC9H10N4S
Molecular Weight206.27 g/mol
Exact Mass206.06
IUPAC Name5-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)thiophen-2-amine
SMILESNc1ccc(-c2n[nH]c(C3CC3)n2)s1
InChIInChI=1S/C9H10N4S/c10-7-4-3-6(14-7)9-11-8(12-13-9)5-1-2-5/h3-5H,1-2,10H2,(H,11,12,13)
InChIKeyLYRIQILCUHQZLP-UHFFFAOYSA-N
XLogP1.99
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.27
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-cyclopropyl-3-(5-methylthiophen-2-yl)-1H-1,2,4-triazole
CID 61337136
5-cyclopropyl-3-thiophen-2-yl-1H-1,2,4-triazole
CID 61337137
5-cyclopropyl-3-phenyl-1H-1,2,4-triazole
CID 61338880
5-(5-propyl-1H-1,2,4-triazol-3-yl)thiophen-2-amine
CID 61337366
5-(5-aminothiophen-2-yl)-1H-1,2,4-triazol-3-amine
CID 61319979
2-bromo-5-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)aniline
CID 107814437
5-(oxan-4-yl)-3-thiophen-2-yl-1H-1,2,4-triazole
CID 62906912
2-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-4,5-difluoroaniline
CID 62865548
3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-4,5-dimethylaniline
CID 55144066
4-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-amine
CID 62807500
4-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-methyl-1,3-thiazole
CID 65198619
3-(2-chlorofuran-3-yl)-5-cyclopropyl-1H-1,2,4-triazole
CID 106688162

Frequently Asked Questions

What is the IUPAC name of 5-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)thiophen-2-amine?
The IUPAC name of 5-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)thiophen-2-amine (CID 61336985) is 5-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)thiophen-2-amine.
What is the SMILES notation for 5-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)thiophen-2-amine?
The canonical SMILES for 5-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)thiophen-2-amine is Nc1ccc(-c2n[nH]c(C3CC3)n2)s1.
What is the InChIKey of 5-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)thiophen-2-amine?
The InChIKey is LYRIQILCUHQZLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4S/c10-7-4-3-6(14-7)9-11-8(12-13-9)5-1-2-5/h3-5H,1-2,10H2,(H,11,12,13).
What are the key properties of 5-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)thiophen-2-amine?
5-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)thiophen-2-amine has a molecular weight of 206.27 g/mol, XLogP of 1.99, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)thiophen-2-amine is sourced from PubChem (CID 61336985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).