1-methyl-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]-4,5,6,7-tetrahydroindazol-4-amine

C15H21N3OS — CID 43787465

IUPAC1-methyl-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]-4,5,6,7-tetrahydroindazol-4-amine
SMILESCSCc1ccc(CNC2CCCc3c2cnn3C)o1
InChIInChI=1S/C15H21N3OS/c1-18-15-5-3-4-14(13(15)9-17-18)16-8-11-6-7-12(19-11)10-20-2/h6-7,9,14,16H,3-5,8,10H2,1-2H3
InChIKeyRCFSODGLJZYSFY-UHFFFAOYSA-N
MW291.42 g/mol
LogP3.04
Rot. Bonds5

About 1-methyl-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]-4,5,6,7-tetrahydroindazol-4-amine

1-methyl-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]-4,5,6,7-tetrahydroindazol-4-amine (PubChem CID 43787465) has the molecular formula C15H21N3OS and a molecular weight of 291.42 g/mol. Its IUPAC name is 1-methyl-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]-4,5,6,7-tetrahydroindazol-4-amine.

Molecular Properties

Compound Name1-methyl-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]-4,5,6,7-tetrahydroindazol-4-amine
PubChem CID43787465
Molecular FormulaC15H21N3OS
Molecular Weight291.42 g/mol
Exact Mass291.14
IUPAC Name1-methyl-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]-4,5,6,7-tetrahydroindazol-4-amine
SMILESCSCc1ccc(CNC2CCCc3c2cnn3C)o1
InChIInChI=1S/C15H21N3OS/c1-18-15-5-3-4-14(13(15)9-17-18)16-8-11-6-7-12(19-11)10-20-2/h6-7,9,14,16H,3-5,8,10H2,1-2H3
InChIKeyRCFSODGLJZYSFY-UHFFFAOYSA-N
XLogP3.04
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-methyl-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]-4,5,6,7-tetrahydroindazol-4-amine with MolForge

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Related Compounds

N-[(5-bromofuran-2-yl)methyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
CID 43727339
5-[[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]methyl]furan-2-carboxylic acid
CID 63316834
N-(1-benzofuran-2-ylmethyl)-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
CID 43435422
N-benzyl-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
CID 43247637
1-methyl-N-(1,3-thiazol-5-ylmethyl)-4,5,6,7-tetrahydroindazol-4-amine
CID 55110101
N-[(4-bromophenyl)methyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
CID 43435391
1-methyl-N-propyl-4,5,6,7-tetrahydroindazol-4-amine
CID 43254492
4-[[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]methyl]benzene-1,2,3-triol
CID 103953173
N-[[4-(dimethylamino)phenyl]methyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
CID 43247635
1-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)-4,5,6,7-tetrahydroindazol-4-amine
CID 106393321
1-methyl-N-[(2-methylcyclopropyl)methyl]-4,5,6,7-tetrahydroindazol-4-amine
CID 115694381
[5-[[[(4S)-1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]amino]methyl]furan-2-yl]methanol
CID 26333155

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]-4,5,6,7-tetrahydroindazol-4-amine?
The IUPAC name of 1-methyl-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]-4,5,6,7-tetrahydroindazol-4-amine (CID 43787465) is 1-methyl-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]-4,5,6,7-tetrahydroindazol-4-amine.
What is the SMILES notation for 1-methyl-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]-4,5,6,7-tetrahydroindazol-4-amine?
The canonical SMILES for 1-methyl-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]-4,5,6,7-tetrahydroindazol-4-amine is CSCc1ccc(CNC2CCCc3c2cnn3C)o1.
What is the InChIKey of 1-methyl-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]-4,5,6,7-tetrahydroindazol-4-amine?
The InChIKey is RCFSODGLJZYSFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3OS/c1-18-15-5-3-4-14(13(15)9-17-18)16-8-11-6-7-12(19-11)10-20-2/h6-7,9,14,16H,3-5,8,10H2,1-2H3.
What are the key properties of 1-methyl-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]-4,5,6,7-tetrahydroindazol-4-amine?
1-methyl-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]-4,5,6,7-tetrahydroindazol-4-amine has a molecular weight of 291.42 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]-4,5,6,7-tetrahydroindazol-4-amine is sourced from PubChem (CID 43787465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).