N-(2-thiophen-2-ylethyl)-4,5,6,7-tetrahydro-1H-indazol-5-amine

C13H17N3S — CID 14539722

IUPACN-(2-thiophen-2-ylethyl)-4,5,6,7-tetrahydro-1H-indazol-5-amine
SMILESc1csc(CCNC2CCc3[nH]ncc3C2)c1
InChIInChI=1S/C13H17N3S/c1-2-12(17-7-1)5-6-14-11-3-4-13-10(8-11)9-15-16-13/h1-2,7,9,11,14H,3-6,8H2,(H,15,16)
InChIKeyJBGKPAYHRKFYTB-UHFFFAOYSA-N
MW247.37 g/mol
LogP2.16
Rot. Bonds4

About N-(2-thiophen-2-ylethyl)-4,5,6,7-tetrahydro-1H-indazol-5-amine

N-(2-thiophen-2-ylethyl)-4,5,6,7-tetrahydro-1H-indazol-5-amine (PubChem CID 14539722) has the molecular formula C13H17N3S and a molecular weight of 247.37 g/mol. Its IUPAC name is N-(2-thiophen-2-ylethyl)-4,5,6,7-tetrahydro-1H-indazol-5-amine.

Molecular Properties

Compound NameN-(2-thiophen-2-ylethyl)-4,5,6,7-tetrahydro-1H-indazol-5-amine
PubChem CID14539722
Molecular FormulaC13H17N3S
Molecular Weight247.37 g/mol
Exact Mass247.11
IUPAC NameN-(2-thiophen-2-ylethyl)-4,5,6,7-tetrahydro-1H-indazol-5-amine
SMILESc1csc(CCNC2CCc3[nH]ncc3C2)c1
InChIInChI=1S/C13H17N3S/c1-2-12(17-7-1)5-6-14-11-3-4-13-10(8-11)9-15-16-13/h1-2,7,9,11,14H,3-6,8H2,(H,15,16)
InChIKeyJBGKPAYHRKFYTB-UHFFFAOYSA-N
XLogP2.16
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.37
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-thiophen-2-ylethyl)-4,5,6,7-tetrahydro-1H-indazol-5-amine?
The IUPAC name of N-(2-thiophen-2-ylethyl)-4,5,6,7-tetrahydro-1H-indazol-5-amine (CID 14539722) is N-(2-thiophen-2-ylethyl)-4,5,6,7-tetrahydro-1H-indazol-5-amine.
What is the SMILES notation for N-(2-thiophen-2-ylethyl)-4,5,6,7-tetrahydro-1H-indazol-5-amine?
The canonical SMILES for N-(2-thiophen-2-ylethyl)-4,5,6,7-tetrahydro-1H-indazol-5-amine is c1csc(CCNC2CCc3[nH]ncc3C2)c1.
What is the InChIKey of N-(2-thiophen-2-ylethyl)-4,5,6,7-tetrahydro-1H-indazol-5-amine?
The InChIKey is JBGKPAYHRKFYTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3S/c1-2-12(17-7-1)5-6-14-11-3-4-13-10(8-11)9-15-16-13/h1-2,7,9,11,14H,3-6,8H2,(H,15,16).
What are the key properties of N-(2-thiophen-2-ylethyl)-4,5,6,7-tetrahydro-1H-indazol-5-amine?
N-(2-thiophen-2-ylethyl)-4,5,6,7-tetrahydro-1H-indazol-5-amine has a molecular weight of 247.37 g/mol, XLogP of 2.16, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-thiophen-2-ylethyl)-4,5,6,7-tetrahydro-1H-indazol-5-amine is sourced from PubChem (CID 14539722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).