N-(thiophen-3-ylmethyl)-1H-indazol-5-amine

C12H11N3S — CID 43690874

IUPACN-(thiophen-3-ylmethyl)-1H-indazol-5-amine
SMILESc1cc(CNc2ccc3[nH]ncc3c2)cs1
InChIInChI=1S/C12H11N3S/c1-2-12-10(7-14-15-12)5-11(1)13-6-9-3-4-16-8-9/h1-5,7-8,13H,6H2,(H,14,15)
InChIKeyLVOQYNFLNLBRNB-UHFFFAOYSA-N
MW229.31 g/mol
LogP3.24
Rot. Bonds3

About N-(thiophen-3-ylmethyl)-1H-indazol-5-amine

N-(thiophen-3-ylmethyl)-1H-indazol-5-amine (PubChem CID 43690874) has the molecular formula C12H11N3S and a molecular weight of 229.31 g/mol. Its IUPAC name is N-(thiophen-3-ylmethyl)-1H-indazol-5-amine.

Molecular Properties

Compound NameN-(thiophen-3-ylmethyl)-1H-indazol-5-amine
PubChem CID43690874
Molecular FormulaC12H11N3S
Molecular Weight229.31 g/mol
Exact Mass229.07
IUPAC NameN-(thiophen-3-ylmethyl)-1H-indazol-5-amine
SMILESc1cc(CNc2ccc3[nH]ncc3c2)cs1
InChIInChI=1S/C12H11N3S/c1-2-12-10(7-14-15-12)5-11(1)13-6-9-3-4-16-8-9/h1-5,7-8,13H,6H2,(H,14,15)
InChIKeyLVOQYNFLNLBRNB-UHFFFAOYSA-N
XLogP3.24
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.31
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(thiophen-3-ylmethyl)-1H-indazol-5-amine?
The IUPAC name of N-(thiophen-3-ylmethyl)-1H-indazol-5-amine (CID 43690874) is N-(thiophen-3-ylmethyl)-1H-indazol-5-amine.
What is the SMILES notation for N-(thiophen-3-ylmethyl)-1H-indazol-5-amine?
The canonical SMILES for N-(thiophen-3-ylmethyl)-1H-indazol-5-amine is c1cc(CNc2ccc3[nH]ncc3c2)cs1.
What is the InChIKey of N-(thiophen-3-ylmethyl)-1H-indazol-5-amine?
The InChIKey is LVOQYNFLNLBRNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3S/c1-2-12-10(7-14-15-12)5-11(1)13-6-9-3-4-16-8-9/h1-5,7-8,13H,6H2,(H,14,15).
What are the key properties of N-(thiophen-3-ylmethyl)-1H-indazol-5-amine?
N-(thiophen-3-ylmethyl)-1H-indazol-5-amine has a molecular weight of 229.31 g/mol, XLogP of 3.24, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(thiophen-3-ylmethyl)-1H-indazol-5-amine is sourced from PubChem (CID 43690874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).