N-cyclopentyl-6-(5-methylthiophen-2-yl)-1,2,3,6-tetrahydropyrazin-5-amine

C14H21N3S — CID 45378623

IUPACN-cyclopentyl-6-(5-methylthiophen-2-yl)-1,2,3,6-tetrahydropyrazin-5-amine
SMILESCc1ccc(C2NCCN=C2NC2CCCC2)s1
InChIInChI=1S/C14H21N3S/c1-10-6-7-12(18-10)13-14(16-9-8-15-13)17-11-4-2-3-5-11/h6-7,11,13,15H,2-5,8-9H2,1H3,(H,16,17)
InChIKeyHFHSQIRUOSCPCB-UHFFFAOYSA-N
MW263.41 g/mol
LogP2.63
Rot. Bonds2

About N-cyclopentyl-6-(5-methylthiophen-2-yl)-1,2,3,6-tetrahydropyrazin-5-amine

N-cyclopentyl-6-(5-methylthiophen-2-yl)-1,2,3,6-tetrahydropyrazin-5-amine (PubChem CID 45378623) has the molecular formula C14H21N3S and a molecular weight of 263.41 g/mol. Its IUPAC name is N-cyclopentyl-6-(5-methylthiophen-2-yl)-1,2,3,6-tetrahydropyrazin-5-amine.

Molecular Properties

Compound NameN-cyclopentyl-6-(5-methylthiophen-2-yl)-1,2,3,6-tetrahydropyrazin-5-amine
PubChem CID45378623
Molecular FormulaC14H21N3S
Molecular Weight263.41 g/mol
Exact Mass263.15
IUPAC NameN-cyclopentyl-6-(5-methylthiophen-2-yl)-1,2,3,6-tetrahydropyrazin-5-amine
SMILESCc1ccc(C2NCCN=C2NC2CCCC2)s1
InChIInChI=1S/C14H21N3S/c1-10-6-7-12(18-10)13-14(16-9-8-15-13)17-11-4-2-3-5-11/h6-7,11,13,15H,2-5,8-9H2,1H3,(H,16,17)
InChIKeyHFHSQIRUOSCPCB-UHFFFAOYSA-N
XLogP2.63
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.41
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-6-(5-methylthiophen-2-yl)-1,2,3,6-tetrahydropyrazin-5-amine?
The IUPAC name of N-cyclopentyl-6-(5-methylthiophen-2-yl)-1,2,3,6-tetrahydropyrazin-5-amine (CID 45378623) is N-cyclopentyl-6-(5-methylthiophen-2-yl)-1,2,3,6-tetrahydropyrazin-5-amine.
What is the SMILES notation for N-cyclopentyl-6-(5-methylthiophen-2-yl)-1,2,3,6-tetrahydropyrazin-5-amine?
The canonical SMILES for N-cyclopentyl-6-(5-methylthiophen-2-yl)-1,2,3,6-tetrahydropyrazin-5-amine is Cc1ccc(C2NCCN=C2NC2CCCC2)s1.
What is the InChIKey of N-cyclopentyl-6-(5-methylthiophen-2-yl)-1,2,3,6-tetrahydropyrazin-5-amine?
The InChIKey is HFHSQIRUOSCPCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3S/c1-10-6-7-12(18-10)13-14(16-9-8-15-13)17-11-4-2-3-5-11/h6-7,11,13,15H,2-5,8-9H2,1H3,(H,16,17).
What are the key properties of N-cyclopentyl-6-(5-methylthiophen-2-yl)-1,2,3,6-tetrahydropyrazin-5-amine?
N-cyclopentyl-6-(5-methylthiophen-2-yl)-1,2,3,6-tetrahydropyrazin-5-amine has a molecular weight of 263.41 g/mol, XLogP of 2.63, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-6-(5-methylthiophen-2-yl)-1,2,3,6-tetrahydropyrazin-5-amine is sourced from PubChem (CID 45378623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).