N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propyl]cyclopentanamine

C11H20N4S — CID 62577031

IUPACN-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propyl]cyclopentanamine
SMILESCC(CNC1CCCC1)Sc1nncn1C
InChIInChI=1S/C11H20N4S/c1-9(7-12-10-5-3-4-6-10)16-11-14-13-8-15(11)2/h8-10,12H,3-7H2,1-2H3
InChIKeyOBNIRPIBCOXRLM-UHFFFAOYSA-N
MW240.38 g/mol
LogP1.83
Rot. Bonds5

About N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propyl]cyclopentanamine

N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propyl]cyclopentanamine (PubChem CID 62577031) has the molecular formula C11H20N4S and a molecular weight of 240.38 g/mol. Its IUPAC name is N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propyl]cyclopentanamine.

Molecular Properties

Compound NameN-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propyl]cyclopentanamine
PubChem CID62577031
Molecular FormulaC11H20N4S
Molecular Weight240.38 g/mol
Exact Mass240.14
IUPAC NameN-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propyl]cyclopentanamine
SMILESCC(CNC1CCCC1)Sc1nncn1C
InChIInChI=1S/C11H20N4S/c1-9(7-12-10-5-3-4-6-10)16-11-14-13-8-15(11)2/h8-10,12H,3-7H2,1-2H3
InChIKeyOBNIRPIBCOXRLM-UHFFFAOYSA-N
XLogP1.83
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.38
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propyl]cyclopentanamine?
The IUPAC name of N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propyl]cyclopentanamine (CID 62577031) is N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propyl]cyclopentanamine.
What is the SMILES notation for N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propyl]cyclopentanamine?
The canonical SMILES for N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propyl]cyclopentanamine is CC(CNC1CCCC1)Sc1nncn1C.
What is the InChIKey of N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propyl]cyclopentanamine?
The InChIKey is OBNIRPIBCOXRLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4S/c1-9(7-12-10-5-3-4-6-10)16-11-14-13-8-15(11)2/h8-10,12H,3-7H2,1-2H3.
What are the key properties of N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propyl]cyclopentanamine?
N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propyl]cyclopentanamine has a molecular weight of 240.38 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propyl]cyclopentanamine is sourced from PubChem (CID 62577031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).