2-[1-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanylmethyl]cyclopropyl]ethanamine

C10H18N4S — CID 65497971

IUPAC2-[1-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanylmethyl]cyclopropyl]ethanamine
SMILESCc1nnc(SCC2(CCN)CC2)n1C
InChIInChI=1S/C10H18N4S/c1-8-12-13-9(14(8)2)15-7-10(3-4-10)5-6-11/h3-7,11H2,1-2H3
InChIKeyFZGDQCSRZGFARQ-UHFFFAOYSA-N
MW226.35 g/mol
LogP1.34
Rot. Bonds5

About 2-[1-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanylmethyl]cyclopropyl]ethanamine

2-[1-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanylmethyl]cyclopropyl]ethanamine (PubChem CID 65497971) has the molecular formula C10H18N4S and a molecular weight of 226.35 g/mol. Its IUPAC name is 2-[1-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanylmethyl]cyclopropyl]ethanamine.

Molecular Properties

Compound Name2-[1-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanylmethyl]cyclopropyl]ethanamine
PubChem CID65497971
Molecular FormulaC10H18N4S
Molecular Weight226.35 g/mol
Exact Mass226.13
IUPAC Name2-[1-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanylmethyl]cyclopropyl]ethanamine
SMILESCc1nnc(SCC2(CCN)CC2)n1C
InChIInChI=1S/C10H18N4S/c1-8-12-13-9(14(8)2)15-7-10(3-4-10)5-6-11/h3-7,11H2,1-2H3
InChIKeyFZGDQCSRZGFARQ-UHFFFAOYSA-N
XLogP1.34
TPSA56.73 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 ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanylmethyl]cyclopropyl]ethanamine?
The IUPAC name of 2-[1-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanylmethyl]cyclopropyl]ethanamine (CID 65497971) is 2-[1-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanylmethyl]cyclopropyl]ethanamine.
What is the SMILES notation for 2-[1-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanylmethyl]cyclopropyl]ethanamine?
The canonical SMILES for 2-[1-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanylmethyl]cyclopropyl]ethanamine is Cc1nnc(SCC2(CCN)CC2)n1C.
What is the InChIKey of 2-[1-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanylmethyl]cyclopropyl]ethanamine?
The InChIKey is FZGDQCSRZGFARQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4S/c1-8-12-13-9(14(8)2)15-7-10(3-4-10)5-6-11/h3-7,11H2,1-2H3.
What are the key properties of 2-[1-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanylmethyl]cyclopropyl]ethanamine?
2-[1-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanylmethyl]cyclopropyl]ethanamine has a molecular weight of 226.35 g/mol, XLogP of 1.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanylmethyl]cyclopropyl]ethanamine is sourced from PubChem (CID 65497971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).