[1-(thiatriazol-5-yl)cyclopropyl]methanamine

C5H8N4S — CID 116985771

IUPAC[1-(thiatriazol-5-yl)cyclopropyl]methanamine
SMILESNCC1(c2nnns2)CC1
InChIInChI=1S/C5H8N4S/c6-3-5(1-2-5)4-7-8-9-10-4/h1-3,6H2
InChIKeyNCLHHVNZFWCGSH-UHFFFAOYSA-N
MW156.21 g/mol
LogP-0.08
Rot. Bonds2

About [1-(thiatriazol-5-yl)cyclopropyl]methanamine

[1-(thiatriazol-5-yl)cyclopropyl]methanamine (PubChem CID 116985771) has the molecular formula C5H8N4S and a molecular weight of 156.21 g/mol. Its IUPAC name is [1-(thiatriazol-5-yl)cyclopropyl]methanamine.

Molecular Properties

Compound Name[1-(thiatriazol-5-yl)cyclopropyl]methanamine
PubChem CID116985771
Molecular FormulaC5H8N4S
Molecular Weight156.21 g/mol
Exact Mass156.05
IUPAC Name[1-(thiatriazol-5-yl)cyclopropyl]methanamine
SMILESNCC1(c2nnns2)CC1
InChIInChI=1S/C5H8N4S/c6-3-5(1-2-5)4-7-8-9-10-4/h1-3,6H2
InChIKeyNCLHHVNZFWCGSH-UHFFFAOYSA-N
XLogP-0.08
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.21
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-(thiatriazol-5-yl)cyclopropyl]methanamine?
The IUPAC name of [1-(thiatriazol-5-yl)cyclopropyl]methanamine (CID 116985771) is [1-(thiatriazol-5-yl)cyclopropyl]methanamine.
What is the SMILES notation for [1-(thiatriazol-5-yl)cyclopropyl]methanamine?
The canonical SMILES for [1-(thiatriazol-5-yl)cyclopropyl]methanamine is NCC1(c2nnns2)CC1.
What is the InChIKey of [1-(thiatriazol-5-yl)cyclopropyl]methanamine?
The InChIKey is NCLHHVNZFWCGSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N4S/c6-3-5(1-2-5)4-7-8-9-10-4/h1-3,6H2.
What are the key properties of [1-(thiatriazol-5-yl)cyclopropyl]methanamine?
[1-(thiatriazol-5-yl)cyclopropyl]methanamine has a molecular weight of 156.21 g/mol, XLogP of -0.08, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(thiatriazol-5-yl)cyclopropyl]methanamine is sourced from PubChem (CID 116985771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).