3-[(4-amino-6-methyl-1,3,5-triazin-2-yl)amino]-2,3-dihydro-1H-indene-5-thiol

C13H15N5S — CID 143929032

IUPAC3-[(4-amino-6-methyl-1,3,5-triazin-2-yl)amino]-2,3-dihydro-1H-indene-5-thiol
SMILESCc1nc(N)nc(NC2CCc3ccc(S)cc32)n1
InChIInChI=1S/C13H15N5S/c1-7-15-12(14)18-13(16-7)17-11-5-3-8-2-4-9(19)6-10(8)11/h2,4,6,11,19H,3,5H2,1H3,(H3,14,15,16,17,18)
InChIKeyOSMOUHRGQSGCTK-UHFFFAOYSA-N
MW273.37 g/mol
LogP2.15
Rot. Bonds2

About 3-[(4-amino-6-methyl-1,3,5-triazin-2-yl)amino]-2,3-dihydro-1H-indene-5-thiol

3-[(4-amino-6-methyl-1,3,5-triazin-2-yl)amino]-2,3-dihydro-1H-indene-5-thiol (PubChem CID 143929032) has the molecular formula C13H15N5S and a molecular weight of 273.37 g/mol. Its IUPAC name is 3-[(4-amino-6-methyl-1,3,5-triazin-2-yl)amino]-2,3-dihydro-1H-indene-5-thiol.

Molecular Properties

Compound Name3-[(4-amino-6-methyl-1,3,5-triazin-2-yl)amino]-2,3-dihydro-1H-indene-5-thiol
PubChem CID143929032
Molecular FormulaC13H15N5S
Molecular Weight273.37 g/mol
Exact Mass273.10
IUPAC Name3-[(4-amino-6-methyl-1,3,5-triazin-2-yl)amino]-2,3-dihydro-1H-indene-5-thiol
SMILESCc1nc(N)nc(NC2CCc3ccc(S)cc32)n1
InChIInChI=1S/C13H15N5S/c1-7-15-12(14)18-13(16-7)17-11-5-3-8-2-4-9(19)6-10(8)11/h2,4,6,11,19H,3,5H2,1H3,(H3,14,15,16,17,18)
InChIKeyOSMOUHRGQSGCTK-UHFFFAOYSA-N
XLogP2.15
TPSA76.72 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.37
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-amino-6-methyl-1,3,5-triazin-2-yl)amino]-2,3-dihydro-1H-indene-5-thiol?
The IUPAC name of 3-[(4-amino-6-methyl-1,3,5-triazin-2-yl)amino]-2,3-dihydro-1H-indene-5-thiol (CID 143929032) is 3-[(4-amino-6-methyl-1,3,5-triazin-2-yl)amino]-2,3-dihydro-1H-indene-5-thiol.
What is the SMILES notation for 3-[(4-amino-6-methyl-1,3,5-triazin-2-yl)amino]-2,3-dihydro-1H-indene-5-thiol?
The canonical SMILES for 3-[(4-amino-6-methyl-1,3,5-triazin-2-yl)amino]-2,3-dihydro-1H-indene-5-thiol is Cc1nc(N)nc(NC2CCc3ccc(S)cc32)n1.
What is the InChIKey of 3-[(4-amino-6-methyl-1,3,5-triazin-2-yl)amino]-2,3-dihydro-1H-indene-5-thiol?
The InChIKey is OSMOUHRGQSGCTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5S/c1-7-15-12(14)18-13(16-7)17-11-5-3-8-2-4-9(19)6-10(8)11/h2,4,6,11,19H,3,5H2,1H3,(H3,14,15,16,17,18).
What are the key properties of 3-[(4-amino-6-methyl-1,3,5-triazin-2-yl)amino]-2,3-dihydro-1H-indene-5-thiol?
3-[(4-amino-6-methyl-1,3,5-triazin-2-yl)amino]-2,3-dihydro-1H-indene-5-thiol has a molecular weight of 273.37 g/mol, XLogP of 2.15, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-amino-6-methyl-1,3,5-triazin-2-yl)amino]-2,3-dihydro-1H-indene-5-thiol is sourced from PubChem (CID 143929032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).