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

C10H18N4S — CID 115725045

IUPACN-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]thiolan-3-amine
SMILESCCc1nncn1CCNC1CCSC1
InChIInChI=1S/C10H18N4S/c1-2-10-13-12-8-14(10)5-4-11-9-3-6-15-7-9/h8-9,11H,2-7H2,1H3
InChIKeyYPHAXSFUAWTORZ-UHFFFAOYSA-N
MW226.35 g/mol
LogP0.94
Rot. Bonds5

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

N-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]thiolan-3-amine (PubChem CID 115725045) has the molecular formula C10H18N4S and a molecular weight of 226.35 g/mol. Its IUPAC name is N-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]thiolan-3-amine.

Molecular Properties

Compound NameN-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]thiolan-3-amine
PubChem CID115725045
Molecular FormulaC10H18N4S
Molecular Weight226.35 g/mol
Exact Mass226.13
IUPAC NameN-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]thiolan-3-amine
SMILESCCc1nncn1CCNC1CCSC1
InChIInChI=1S/C10H18N4S/c1-2-10-13-12-8-14(10)5-4-11-9-3-6-15-7-9/h8-9,11H,2-7H2,1H3
InChIKeyYPHAXSFUAWTORZ-UHFFFAOYSA-N
XLogP0.94
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.35
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]cyclopentanamine
CID 115656753
N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]thian-3-amine
CID 115885218
N-[2-(1,3-dimethylpyrazol-4-yl)ethyl]thiolan-3-amine
CID 115895157
1-cyclopropyl-3-ethyl-2-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]guanidine
CID 111495550
N-[2-(1-methylpyrazol-4-yl)ethyl]thiolan-3-amine
CID 80682977
N-(2-pyrrolidin-1-ylethyl)thiolan-3-amine
CID 43181582
N-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-N',4-dimethylpiperidine-1-carboximidamide
CID 111512515
N-[4-(2-methylimidazol-1-yl)butyl]thiolan-3-amine
CID 115723460
5,5-dimethyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]thian-3-amine
CID 79958732
N'-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]thiomorpholine-4-carboximidamide
CID 111822214
N-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]pentan-2-amine
CID 115725048
N-pentylthiolan-3-amine
CID 43177655

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]thiolan-3-amine?
The IUPAC name of N-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]thiolan-3-amine (CID 115725045) is N-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]thiolan-3-amine.
What is the SMILES notation for N-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]thiolan-3-amine?
The canonical SMILES for N-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]thiolan-3-amine is CCc1nncn1CCNC1CCSC1.
What is the InChIKey of N-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]thiolan-3-amine?
The InChIKey is YPHAXSFUAWTORZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4S/c1-2-10-13-12-8-14(10)5-4-11-9-3-6-15-7-9/h8-9,11H,2-7H2,1H3.
What are the key properties of N-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]thiolan-3-amine?
N-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]thiolan-3-amine has a molecular weight of 226.35 g/mol, XLogP of 0.94, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]thiolan-3-amine is sourced from PubChem (CID 115725045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).