N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]thietan-3-amine

C8H14N4S — CID 130683482

IUPACN-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]thietan-3-amine
SMILESCC(NC1CSC1)c1nncn1C
InChIInChI=1S/C8H14N4S/c1-6(10-7-3-13-4-7)8-11-9-5-12(8)2/h5-7,10H,3-4H2,1-2H3
InChIKeyFFJRUWNBVIMQHJ-UHFFFAOYSA-N
MW198.29 g/mol
LogP0.58
Rot. Bonds3

About N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]thietan-3-amine

N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]thietan-3-amine (PubChem CID 130683482) has the molecular formula C8H14N4S and a molecular weight of 198.29 g/mol. Its IUPAC name is N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]thietan-3-amine.

Molecular Properties

Compound NameN-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]thietan-3-amine
PubChem CID130683482
Molecular FormulaC8H14N4S
Molecular Weight198.29 g/mol
Exact Mass198.09
IUPAC NameN-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]thietan-3-amine
SMILESCC(NC1CSC1)c1nncn1C
InChIInChI=1S/C8H14N4S/c1-6(10-7-3-13-4-7)8-11-9-5-12(8)2/h5-7,10H,3-4H2,1-2H3
InChIKeyFFJRUWNBVIMQHJ-UHFFFAOYSA-N
XLogP0.58
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]cycloheptanamine
CID 43703015
8-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 43703170
1-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]cyclohexane-1,3-diamine
CID 79458750
trans-(1R,2R)-2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]cyclohexan-1-ol
CID 102731179
2,4,4-trimethyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]cyclopentan-1-amine
CID 106661974
tert-butyl N-[3-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]cyclobutyl]carbamate
CID 80559631
N-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]thiomorpholine-4-carboxamide
CID 94119922
5-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 65035711
2-cyclopropyl-1-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]guanidine
CID 62364865
2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]ethanol
CID 55211655
1-(4-methyl-1,2,4-triazol-3-yl)ethylthiourea
CID 62116971
N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-piperidin-2-ylcyclohexan-1-amine
CID 79541672

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]thietan-3-amine?
The IUPAC name of N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]thietan-3-amine (CID 130683482) is N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]thietan-3-amine.
What is the SMILES notation for N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]thietan-3-amine?
The canonical SMILES for N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]thietan-3-amine is CC(NC1CSC1)c1nncn1C.
What is the InChIKey of N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]thietan-3-amine?
The InChIKey is FFJRUWNBVIMQHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4S/c1-6(10-7-3-13-4-7)8-11-9-5-12(8)2/h5-7,10H,3-4H2,1-2H3.
What are the key properties of N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]thietan-3-amine?
N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]thietan-3-amine has a molecular weight of 198.29 g/mol, XLogP of 0.58, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]thietan-3-amine is sourced from PubChem (CID 130683482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).