1-methyl-N-(2-methylthian-3-yl)-4,5,6,7-tetrahydroindazol-4-amine

C14H23N3S — CID 79957211

IUPAC1-methyl-N-(2-methylthian-3-yl)-4,5,6,7-tetrahydroindazol-4-amine
SMILESCC1SCCCC1NC1CCCc2c1cnn2C
InChIInChI=1S/C14H23N3S/c1-10-12(6-4-8-18-10)16-13-5-3-7-14-11(13)9-15-17(14)2/h9-10,12-13,16H,3-8H2,1-2H3
InChIKeyVLAOESXLXHXTPV-UHFFFAOYSA-N
MW265.43 g/mol
LogP2.67
Rot. Bonds2

About 1-methyl-N-(2-methylthian-3-yl)-4,5,6,7-tetrahydroindazol-4-amine

1-methyl-N-(2-methylthian-3-yl)-4,5,6,7-tetrahydroindazol-4-amine (PubChem CID 79957211) has the molecular formula C14H23N3S and a molecular weight of 265.43 g/mol. Its IUPAC name is 1-methyl-N-(2-methylthian-3-yl)-4,5,6,7-tetrahydroindazol-4-amine.

Molecular Properties

Compound Name1-methyl-N-(2-methylthian-3-yl)-4,5,6,7-tetrahydroindazol-4-amine
PubChem CID79957211
Molecular FormulaC14H23N3S
Molecular Weight265.43 g/mol
Exact Mass265.16
IUPAC Name1-methyl-N-(2-methylthian-3-yl)-4,5,6,7-tetrahydroindazol-4-amine
SMILESCC1SCCCC1NC1CCCc2c1cnn2C
InChIInChI=1S/C14H23N3S/c1-10-12(6-4-8-18-10)16-13-5-3-7-14-11(13)9-15-17(14)2/h9-10,12-13,16H,3-8H2,1-2H3
InChIKeyVLAOESXLXHXTPV-UHFFFAOYSA-N
XLogP2.67
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.43
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(2-methylthian-3-yl)-4,5,6,7-tetrahydroindazol-4-amine?
The IUPAC name of 1-methyl-N-(2-methylthian-3-yl)-4,5,6,7-tetrahydroindazol-4-amine (CID 79957211) is 1-methyl-N-(2-methylthian-3-yl)-4,5,6,7-tetrahydroindazol-4-amine.
What is the SMILES notation for 1-methyl-N-(2-methylthian-3-yl)-4,5,6,7-tetrahydroindazol-4-amine?
The canonical SMILES for 1-methyl-N-(2-methylthian-3-yl)-4,5,6,7-tetrahydroindazol-4-amine is CC1SCCCC1NC1CCCc2c1cnn2C.
What is the InChIKey of 1-methyl-N-(2-methylthian-3-yl)-4,5,6,7-tetrahydroindazol-4-amine?
The InChIKey is VLAOESXLXHXTPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3S/c1-10-12(6-4-8-18-10)16-13-5-3-7-14-11(13)9-15-17(14)2/h9-10,12-13,16H,3-8H2,1-2H3.
What are the key properties of 1-methyl-N-(2-methylthian-3-yl)-4,5,6,7-tetrahydroindazol-4-amine?
1-methyl-N-(2-methylthian-3-yl)-4,5,6,7-tetrahydroindazol-4-amine has a molecular weight of 265.43 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(2-methylthian-3-yl)-4,5,6,7-tetrahydroindazol-4-amine is sourced from PubChem (CID 79957211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).