N-[(3-methylsulfanylpyrazin-2-yl)methyl]cyclopropanamine

C9H13N3S — CID 66569575

IUPACN-[(3-methylsulfanylpyrazin-2-yl)methyl]cyclopropanamine
SMILESCSc1nccnc1CNC1CC1
InChIInChI=1S/C9H13N3S/c1-13-9-8(10-4-5-11-9)6-12-7-2-3-7/h4-5,7,12H,2-3,6H2,1H3
InChIKeyUKVUXOWGLNTIMV-UHFFFAOYSA-N
MW195.29 g/mol
LogP1.45
Rot. Bonds4

About N-[(3-methylsulfanylpyrazin-2-yl)methyl]cyclopropanamine

N-[(3-methylsulfanylpyrazin-2-yl)methyl]cyclopropanamine (PubChem CID 66569575) has the molecular formula C9H13N3S and a molecular weight of 195.29 g/mol. Its IUPAC name is N-[(3-methylsulfanylpyrazin-2-yl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(3-methylsulfanylpyrazin-2-yl)methyl]cyclopropanamine
PubChem CID66569575
Molecular FormulaC9H13N3S
Molecular Weight195.29 g/mol
Exact Mass195.08
IUPAC NameN-[(3-methylsulfanylpyrazin-2-yl)methyl]cyclopropanamine
SMILESCSc1nccnc1CNC1CC1
InChIInChI=1S/C9H13N3S/c1-13-9-8(10-4-5-11-9)6-12-7-2-3-7/h4-5,7,12H,2-3,6H2,1H3
InChIKeyUKVUXOWGLNTIMV-UHFFFAOYSA-N
XLogP1.45
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.29
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3-methylsulfanylpyrazin-2-yl)methyl]cyclopropanamine?
The IUPAC name of N-[(3-methylsulfanylpyrazin-2-yl)methyl]cyclopropanamine (CID 66569575) is N-[(3-methylsulfanylpyrazin-2-yl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(3-methylsulfanylpyrazin-2-yl)methyl]cyclopropanamine?
The canonical SMILES for N-[(3-methylsulfanylpyrazin-2-yl)methyl]cyclopropanamine is CSc1nccnc1CNC1CC1.
What is the InChIKey of N-[(3-methylsulfanylpyrazin-2-yl)methyl]cyclopropanamine?
The InChIKey is UKVUXOWGLNTIMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3S/c1-13-9-8(10-4-5-11-9)6-12-7-2-3-7/h4-5,7,12H,2-3,6H2,1H3.
What are the key properties of N-[(3-methylsulfanylpyrazin-2-yl)methyl]cyclopropanamine?
N-[(3-methylsulfanylpyrazin-2-yl)methyl]cyclopropanamine has a molecular weight of 195.29 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylsulfanylpyrazin-2-yl)methyl]cyclopropanamine is sourced from PubChem (CID 66569575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).