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

N-(1H-indazol-6-ylmethyl)butan-1-amine
CID 62919560
1-(2-methylquinolin-6-yl)-N-(thiophen-2-ylmethyl)methanamine
CID 105378240
N-(1H-indazol-6-ylmethyl)-2-methylsulfinylethanamine
CID 115632496
1-(1H-indazol-6-ylmethylamino)-2-methylpropan-2-ol
CID 115621594
(2R)-1-(1H-indazol-6-ylmethylamino)propan-2-ol
CID 103884297
(2S)-1-(1H-indazol-6-ylmethylamino)propan-2-ol
CID 103884153
2-cyclopropyl-N-(1H-indazol-6-ylmethyl)ethanamine
CID 115656450
N-(2-thiophen-2-ylethyl)-1H-indazole-6-carboxamide
CID 60714994
1-(2-methyl-4-pyridinyl)-N-(thiophen-2-ylmethyl)methanamine
CID 106752851
N-(1H-indazol-6-ylmethyl)-1-(2-methylcyclopropyl)methanamine;hydrochloride
CID 115607475
[4-[(thiophen-2-ylmethylamino)methyl]phenyl]methanol
CID 83962635
[3-[(thiophen-2-ylmethylamino)methyl]phenyl]methanamine
CID 115212986

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).