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

C9H12N4S — CID 61337366

IUPAC5-(5-propyl-1H-1,2,4-triazol-3-yl)thiophen-2-amine
SMILESCCCc1nc(-c2ccc(N)s2)n[nH]1
InChIInChI=1S/C9H12N4S/c1-2-3-8-11-9(13-12-8)6-4-5-7(10)14-6/h4-5H,2-3,10H2,1H3,(H,11,12,13)
InChIKeyTUZXQVDIKXFMCV-UHFFFAOYSA-N
MW208.29 g/mol
LogP2.07
Rot. Bonds3

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

5-(5-propyl-1H-1,2,4-triazol-3-yl)thiophen-2-amine (PubChem CID 61337366) has the molecular formula C9H12N4S and a molecular weight of 208.29 g/mol. Its IUPAC name is 5-(5-propyl-1H-1,2,4-triazol-3-yl)thiophen-2-amine.

Molecular Properties

Compound Name5-(5-propyl-1H-1,2,4-triazol-3-yl)thiophen-2-amine
PubChem CID61337366
Molecular FormulaC9H12N4S
Molecular Weight208.29 g/mol
Exact Mass208.08
IUPAC Name5-(5-propyl-1H-1,2,4-triazol-3-yl)thiophen-2-amine
SMILESCCCc1nc(-c2ccc(N)s2)n[nH]1
InChIInChI=1S/C9H12N4S/c1-2-3-8-11-9(13-12-8)6-4-5-7(10)14-6/h4-5H,2-3,10H2,1H3,(H,11,12,13)
InChIKeyTUZXQVDIKXFMCV-UHFFFAOYSA-N
XLogP2.07
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.29
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(5-propyl-1H-1,2,4-triazol-3-yl)thiophen-2-amine?
The IUPAC name of 5-(5-propyl-1H-1,2,4-triazol-3-yl)thiophen-2-amine (CID 61337366) is 5-(5-propyl-1H-1,2,4-triazol-3-yl)thiophen-2-amine.
What is the SMILES notation for 5-(5-propyl-1H-1,2,4-triazol-3-yl)thiophen-2-amine?
The canonical SMILES for 5-(5-propyl-1H-1,2,4-triazol-3-yl)thiophen-2-amine is CCCc1nc(-c2ccc(N)s2)n[nH]1.
What is the InChIKey of 5-(5-propyl-1H-1,2,4-triazol-3-yl)thiophen-2-amine?
The InChIKey is TUZXQVDIKXFMCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4S/c1-2-3-8-11-9(13-12-8)6-4-5-7(10)14-6/h4-5H,2-3,10H2,1H3,(H,11,12,13).
What are the key properties of 5-(5-propyl-1H-1,2,4-triazol-3-yl)thiophen-2-amine?
5-(5-propyl-1H-1,2,4-triazol-3-yl)thiophen-2-amine has a molecular weight of 208.29 g/mol, XLogP of 2.07, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-propyl-1H-1,2,4-triazol-3-yl)thiophen-2-amine is sourced from PubChem (CID 61337366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).