2-methyl-1-N-(thiatriazol-5-yl)propane-1,2-diamine

C5H11N5S — CID 117044430

IUPAC2-methyl-1-N-(thiatriazol-5-yl)propane-1,2-diamine
SMILESCC(C)(N)CNc1nnns1
InChIInChI=1S/C5H11N5S/c1-5(2,6)3-7-4-8-9-10-11-4/h3,6H2,1-2H3,(H,7,8,10)
InChIKeyOIUHOQFWOHKUKR-UHFFFAOYSA-N
MW173.24 g/mol
LogP0.08
Rot. Bonds3

About 2-methyl-1-N-(thiatriazol-5-yl)propane-1,2-diamine

2-methyl-1-N-(thiatriazol-5-yl)propane-1,2-diamine (PubChem CID 117044430) has the molecular formula C5H11N5S and a molecular weight of 173.24 g/mol. Its IUPAC name is 2-methyl-1-N-(thiatriazol-5-yl)propane-1,2-diamine.

Molecular Properties

Compound Name2-methyl-1-N-(thiatriazol-5-yl)propane-1,2-diamine
PubChem CID117044430
Molecular FormulaC5H11N5S
Molecular Weight173.24 g/mol
Exact Mass173.07
IUPAC Name2-methyl-1-N-(thiatriazol-5-yl)propane-1,2-diamine
SMILESCC(C)(N)CNc1nnns1
InChIInChI=1S/C5H11N5S/c1-5(2,6)3-7-4-8-9-10-11-4/h3,6H2,1-2H3,(H,7,8,10)
InChIKeyOIUHOQFWOHKUKR-UHFFFAOYSA-N
XLogP0.08
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.24
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-N-(thiatriazol-5-yl)propane-1,2-diamine?
The IUPAC name of 2-methyl-1-N-(thiatriazol-5-yl)propane-1,2-diamine (CID 117044430) is 2-methyl-1-N-(thiatriazol-5-yl)propane-1,2-diamine.
What is the SMILES notation for 2-methyl-1-N-(thiatriazol-5-yl)propane-1,2-diamine?
The canonical SMILES for 2-methyl-1-N-(thiatriazol-5-yl)propane-1,2-diamine is CC(C)(N)CNc1nnns1.
What is the InChIKey of 2-methyl-1-N-(thiatriazol-5-yl)propane-1,2-diamine?
The InChIKey is OIUHOQFWOHKUKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N5S/c1-5(2,6)3-7-4-8-9-10-11-4/h3,6H2,1-2H3,(H,7,8,10).
What are the key properties of 2-methyl-1-N-(thiatriazol-5-yl)propane-1,2-diamine?
2-methyl-1-N-(thiatriazol-5-yl)propane-1,2-diamine has a molecular weight of 173.24 g/mol, XLogP of 0.08, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-N-(thiatriazol-5-yl)propane-1,2-diamine is sourced from PubChem (CID 117044430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).