1-(1H-indazol-6-yl)-N-(thiophen-2-ylmethyl)methanamine

C13H13N3S — CID 55131583

IUPAC1-(1H-indazol-6-yl)-N-(thiophen-2-ylmethyl)methanamine
SMILESc1csc(CNCc2ccc3cn[nH]c3c2)c1
InChIInChI=1S/C13H13N3S/c1-2-12(17-5-1)9-14-7-10-3-4-11-8-15-16-13(11)6-10/h1-6,8,14H,7,9H2,(H,15,16)
InChIKeyZIPKWVWTTKOJRM-UHFFFAOYSA-N
MW243.34 g/mol
LogP2.91
Rot. Bonds4

About 1-(1H-indazol-6-yl)-N-(thiophen-2-ylmethyl)methanamine

1-(1H-indazol-6-yl)-N-(thiophen-2-ylmethyl)methanamine (PubChem CID 55131583) has the molecular formula C13H13N3S and a molecular weight of 243.34 g/mol. Its IUPAC name is 1-(1H-indazol-6-yl)-N-(thiophen-2-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(1H-indazol-6-yl)-N-(thiophen-2-ylmethyl)methanamine
PubChem CID55131583
Molecular FormulaC13H13N3S
Molecular Weight243.34 g/mol
Exact Mass243.08
IUPAC Name1-(1H-indazol-6-yl)-N-(thiophen-2-ylmethyl)methanamine
SMILESc1csc(CNCc2ccc3cn[nH]c3c2)c1
InChIInChI=1S/C13H13N3S/c1-2-12(17-5-1)9-14-7-10-3-4-11-8-15-16-13(11)6-10/h1-6,8,14H,7,9H2,(H,15,16)
InChIKeyZIPKWVWTTKOJRM-UHFFFAOYSA-N
XLogP2.91
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.34
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-(1H-indazol-6-yl)-N-(thiophen-2-ylmethyl)methanamine?
The IUPAC name of 1-(1H-indazol-6-yl)-N-(thiophen-2-ylmethyl)methanamine (CID 55131583) is 1-(1H-indazol-6-yl)-N-(thiophen-2-ylmethyl)methanamine.
What is the SMILES notation for 1-(1H-indazol-6-yl)-N-(thiophen-2-ylmethyl)methanamine?
The canonical SMILES for 1-(1H-indazol-6-yl)-N-(thiophen-2-ylmethyl)methanamine is c1csc(CNCc2ccc3cn[nH]c3c2)c1.
What is the InChIKey of 1-(1H-indazol-6-yl)-N-(thiophen-2-ylmethyl)methanamine?
The InChIKey is ZIPKWVWTTKOJRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3S/c1-2-12(17-5-1)9-14-7-10-3-4-11-8-15-16-13(11)6-10/h1-6,8,14H,7,9H2,(H,15,16).
What are the key properties of 1-(1H-indazol-6-yl)-N-(thiophen-2-ylmethyl)methanamine?
1-(1H-indazol-6-yl)-N-(thiophen-2-ylmethyl)methanamine has a molecular weight of 243.34 g/mol, XLogP of 2.91, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-indazol-6-yl)-N-(thiophen-2-ylmethyl)methanamine is sourced from PubChem (CID 55131583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).