2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)thiophen-3-amine

C9H10N4S — CID 43142785

IUPAC2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)thiophen-3-amine
SMILESNc1ccsc1-c1nnc2n1CCC2
InChIInChI=1S/C9H10N4S/c10-6-3-5-14-8(6)9-12-11-7-2-1-4-13(7)9/h3,5H,1-2,4,10H2
InChIKeyBVLKGMFQOBSKCG-UHFFFAOYSA-N
MW206.27 g/mol
LogP1.53
Rot. Bonds1

About 2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)thiophen-3-amine

2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)thiophen-3-amine (PubChem CID 43142785) has the molecular formula C9H10N4S and a molecular weight of 206.27 g/mol. Its IUPAC name is 2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)thiophen-3-amine.

Molecular Properties

Compound Name2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)thiophen-3-amine
PubChem CID43142785
Molecular FormulaC9H10N4S
Molecular Weight206.27 g/mol
Exact Mass206.06
IUPAC Name2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)thiophen-3-amine
SMILESNc1ccsc1-c1nnc2n1CCC2
InChIInChI=1S/C9H10N4S/c10-6-3-5-14-8(6)9-12-11-7-2-1-4-13(7)9/h3,5H,1-2,4,10H2
InChIKeyBVLKGMFQOBSKCG-UHFFFAOYSA-N
XLogP1.53
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.27
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)thiophen-3-amine?
The IUPAC name of 2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)thiophen-3-amine (CID 43142785) is 2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)thiophen-3-amine.
What is the SMILES notation for 2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)thiophen-3-amine?
The canonical SMILES for 2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)thiophen-3-amine is Nc1ccsc1-c1nnc2n1CCC2.
What is the InChIKey of 2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)thiophen-3-amine?
The InChIKey is BVLKGMFQOBSKCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4S/c10-6-3-5-14-8(6)9-12-11-7-2-1-4-13(7)9/h3,5H,1-2,4,10H2.
What are the key properties of 2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)thiophen-3-amine?
2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)thiophen-3-amine has a molecular weight of 206.27 g/mol, XLogP of 1.53, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)thiophen-3-amine is sourced from PubChem (CID 43142785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).