N-(1H-1,2,4-triazol-5-ylmethyl)thiolan-3-amine

C7H12N4S — CID 60978589

IUPACN-(1H-1,2,4-triazol-5-ylmethyl)thiolan-3-amine
SMILESc1n[nH]c(CNC2CCSC2)n1
InChIInChI=1S/C7H12N4S/c1-2-12-4-6(1)8-3-7-9-5-10-11-7/h5-6,8H,1-4H2,(H,9,10,11)
InChIKeyJZVVEWLHWOAOLC-UHFFFAOYSA-N
MW184.27 g/mol
LogP0.40
Rot. Bonds3

About N-(1H-1,2,4-triazol-5-ylmethyl)thiolan-3-amine

N-(1H-1,2,4-triazol-5-ylmethyl)thiolan-3-amine (PubChem CID 60978589) has the molecular formula C7H12N4S and a molecular weight of 184.27 g/mol. Its IUPAC name is N-(1H-1,2,4-triazol-5-ylmethyl)thiolan-3-amine.

Molecular Properties

Compound NameN-(1H-1,2,4-triazol-5-ylmethyl)thiolan-3-amine
PubChem CID60978589
Molecular FormulaC7H12N4S
Molecular Weight184.27 g/mol
Exact Mass184.08
IUPAC NameN-(1H-1,2,4-triazol-5-ylmethyl)thiolan-3-amine
SMILESc1n[nH]c(CNC2CCSC2)n1
InChIInChI=1S/C7H12N4S/c1-2-12-4-6(1)8-3-7-9-5-10-11-7/h5-6,8H,1-4H2,(H,9,10,11)
InChIKeyJZVVEWLHWOAOLC-UHFFFAOYSA-N
XLogP0.40
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.27
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-propyl-4H-1,2,4-triazol-3-yl)methyl]tetrahydrothiophen-3-amine
CID 50962208
1-(1H-1,2,4-triazol-5-yl)-3-(4,4,4-trifluorobutylsulfanyl)propan-1-amine
CID 170770639
ethane;1-(1H-1,2,4-triazol-5-yl)-3-(4,4,4-trifluorobutylsulfanyl)propan-1-amine
CID 170770668
[1,2,4]Triazolyl thiazolidine
CID 139216615
2-(1H-1,2,4-triazol-5-ylmethylsulfanyl)ethanamine
CID 12788955
2-[1-(1H-1,2,4-triazol-5-yl)ethylamino]ethanethiol
CID 57200883
5-(thiolan-2-yl)-1H-1,2,4-triazole
CID 67213191
(1R)-2-[[(2R)-2-amino-2-(4H-imidazol-2-yl)ethyl]disulfanyl]-1-(1H-1,2,4-triazol-5-yl)ethanamine
CID 90193581
(1R)-2-[[(2R)-2-amino-2-(1H-1,2,4-triazol-5-yl)ethyl]disulfanyl]-1-(1H-1,2,4-triazol-5-yl)ethanamine
CID 90193593
2-(1H-1,2,4-triazol-5-yl)-1,3,4-thiadiazolidine
CID 140974305
5-(1H-1,2,4-triazol-5-yl)-1,2,4-thiadiazolidine
CID 140976323
N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]thiolan-3-amine
CID 43703024

Frequently Asked Questions

What is the IUPAC name of N-(1H-1,2,4-triazol-5-ylmethyl)thiolan-3-amine?
The IUPAC name of N-(1H-1,2,4-triazol-5-ylmethyl)thiolan-3-amine (CID 60978589) is N-(1H-1,2,4-triazol-5-ylmethyl)thiolan-3-amine.
What is the SMILES notation for N-(1H-1,2,4-triazol-5-ylmethyl)thiolan-3-amine?
The canonical SMILES for N-(1H-1,2,4-triazol-5-ylmethyl)thiolan-3-amine is c1n[nH]c(CNC2CCSC2)n1.
What is the InChIKey of N-(1H-1,2,4-triazol-5-ylmethyl)thiolan-3-amine?
The InChIKey is JZVVEWLHWOAOLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4S/c1-2-12-4-6(1)8-3-7-9-5-10-11-7/h5-6,8H,1-4H2,(H,9,10,11).
What are the key properties of N-(1H-1,2,4-triazol-5-ylmethyl)thiolan-3-amine?
N-(1H-1,2,4-triazol-5-ylmethyl)thiolan-3-amine has a molecular weight of 184.27 g/mol, XLogP of 0.40, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-1,2,4-triazol-5-ylmethyl)thiolan-3-amine is sourced from PubChem (CID 60978589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).