N-[(5-methylthiophen-2-yl)methyl]pyrazin-2-amine

C10H11N3S — CID 3699358

IUPACN-[(5-methylthiophen-2-yl)methyl]pyrazin-2-amine
SMILESCc1ccc(CNc2cnccn2)s1
InChIInChI=1S/C10H11N3S/c1-8-2-3-9(14-8)6-13-10-7-11-4-5-12-10/h2-5,7H,6H2,1H3,(H,12,13)
InChIKeyZFOOLLVSRWMKDL-UHFFFAOYSA-N
MW205.29 g/mol
LogP2.46
Rot. Bonds3

About N-[(5-methylthiophen-2-yl)methyl]pyrazin-2-amine

N-[(5-methylthiophen-2-yl)methyl]pyrazin-2-amine (PubChem CID 3699358) has the molecular formula C10H11N3S and a molecular weight of 205.29 g/mol. Its IUPAC name is N-[(5-methylthiophen-2-yl)methyl]pyrazin-2-amine.

Molecular Properties

Compound NameN-[(5-methylthiophen-2-yl)methyl]pyrazin-2-amine
PubChem CID3699358
Molecular FormulaC10H11N3S
Molecular Weight205.29 g/mol
Exact Mass205.07
IUPAC NameN-[(5-methylthiophen-2-yl)methyl]pyrazin-2-amine
SMILESCc1ccc(CNc2cnccn2)s1
InChIInChI=1S/C10H11N3S/c1-8-2-3-9(14-8)6-13-10-7-11-4-5-12-10/h2-5,7H,6H2,1H3,(H,12,13)
InChIKeyZFOOLLVSRWMKDL-UHFFFAOYSA-N
XLogP2.46
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.29
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(5-methylthiophen-2-yl)methyl]pyrazin-2-amine?
The IUPAC name of N-[(5-methylthiophen-2-yl)methyl]pyrazin-2-amine (CID 3699358) is N-[(5-methylthiophen-2-yl)methyl]pyrazin-2-amine.
What is the SMILES notation for N-[(5-methylthiophen-2-yl)methyl]pyrazin-2-amine?
The canonical SMILES for N-[(5-methylthiophen-2-yl)methyl]pyrazin-2-amine is Cc1ccc(CNc2cnccn2)s1.
What is the InChIKey of N-[(5-methylthiophen-2-yl)methyl]pyrazin-2-amine?
The InChIKey is ZFOOLLVSRWMKDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3S/c1-8-2-3-9(14-8)6-13-10-7-11-4-5-12-10/h2-5,7H,6H2,1H3,(H,12,13).
What are the key properties of N-[(5-methylthiophen-2-yl)methyl]pyrazin-2-amine?
N-[(5-methylthiophen-2-yl)methyl]pyrazin-2-amine has a molecular weight of 205.29 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methylthiophen-2-yl)methyl]pyrazin-2-amine is sourced from PubChem (CID 3699358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).