3-N-(1-thiophen-2-ylbutyl)pyrazine-2,3-diamine

C12H16N4S — CID 102984016

IUPAC3-N-(1-thiophen-2-ylbutyl)pyrazine-2,3-diamine
SMILESCCCC(Nc1nccnc1N)c1cccs1
InChIInChI=1S/C12H16N4S/c1-2-4-9(10-5-3-8-17-10)16-12-11(13)14-6-7-15-12/h3,5-9H,2,4H2,1H3,(H2,13,14)(H,15,16)
InChIKeyPCNZTBNAFLTUBE-UHFFFAOYSA-N
MW248.36 g/mol
LogP3.07
Rot. Bonds5

About 3-N-(1-thiophen-2-ylbutyl)pyrazine-2,3-diamine

3-N-(1-thiophen-2-ylbutyl)pyrazine-2,3-diamine (PubChem CID 102984016) has the molecular formula C12H16N4S and a molecular weight of 248.36 g/mol. Its IUPAC name is 3-N-(1-thiophen-2-ylbutyl)pyrazine-2,3-diamine.

Molecular Properties

Compound Name3-N-(1-thiophen-2-ylbutyl)pyrazine-2,3-diamine
PubChem CID102984016
Molecular FormulaC12H16N4S
Molecular Weight248.36 g/mol
Exact Mass248.11
IUPAC Name3-N-(1-thiophen-2-ylbutyl)pyrazine-2,3-diamine
SMILESCCCC(Nc1nccnc1N)c1cccs1
InChIInChI=1S/C12H16N4S/c1-2-4-9(10-5-3-8-17-10)16-12-11(13)14-6-7-15-12/h3,5-9H,2,4H2,1H3,(H2,13,14)(H,15,16)
InChIKeyPCNZTBNAFLTUBE-UHFFFAOYSA-N
XLogP3.07
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.36
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-2-N-(1-thiophen-2-ylbutyl)pyridine-2,3-diamine
CID 66279967
2,5-dimethyl-4-N-(1-thiophen-2-ylbutyl)pyrimidine-4,6-diamine
CID 80808300
5-methyl-2-propyl-4-N-(1-thiophen-2-ylbutyl)pyrimidine-4,6-diamine
CID 80986238
4-ethoxy-5-N-(1-thiophen-2-ylbutyl)-1,2-thiazole-3,5-diamine
CID 103360094
2-N,5-dimethyl-4-N-(1-thiophen-2-ylbutyl)pyrimidine-2,4-diamine
CID 80807804
5-bromo-2-N-methyl-4-N-(1-thiophen-2-ylbutyl)pyrimidine-2,4-diamine
CID 80807318
3,5-dichloro-6-hydrazinyl-N-(1-thiophen-2-ylbutyl)pyridin-2-amine
CID 102761807
6-chloro-4,5-dimethyl-N-(1-thiophen-2-ylbutyl)pyridazin-3-amine
CID 63271983
2-N-methyl-4-N-(1-thiophen-2-ylbutyl)pyridine-2,4-diamine
CID 113367648
5-methoxy-4-(1-thiophen-2-ylbutylamino)-1H-pyrimidin-6-one
CID 136974958
6-methoxy-5-methyl-N-(1-thiophen-2-ylbutyl)pyrimidin-4-amine
CID 66326238
methyl 5-amino-6-(1-thiophen-2-ylbutylamino)pyridine-2-carboxylate
CID 114405921

Frequently Asked Questions

What is the IUPAC name of 3-N-(1-thiophen-2-ylbutyl)pyrazine-2,3-diamine?
The IUPAC name of 3-N-(1-thiophen-2-ylbutyl)pyrazine-2,3-diamine (CID 102984016) is 3-N-(1-thiophen-2-ylbutyl)pyrazine-2,3-diamine.
What is the SMILES notation for 3-N-(1-thiophen-2-ylbutyl)pyrazine-2,3-diamine?
The canonical SMILES for 3-N-(1-thiophen-2-ylbutyl)pyrazine-2,3-diamine is CCCC(Nc1nccnc1N)c1cccs1.
What is the InChIKey of 3-N-(1-thiophen-2-ylbutyl)pyrazine-2,3-diamine?
The InChIKey is PCNZTBNAFLTUBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4S/c1-2-4-9(10-5-3-8-17-10)16-12-11(13)14-6-7-15-12/h3,5-9H,2,4H2,1H3,(H2,13,14)(H,15,16).
What are the key properties of 3-N-(1-thiophen-2-ylbutyl)pyrazine-2,3-diamine?
3-N-(1-thiophen-2-ylbutyl)pyrazine-2,3-diamine has a molecular weight of 248.36 g/mol, XLogP of 3.07, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(1-thiophen-2-ylbutyl)pyrazine-2,3-diamine is sourced from PubChem (CID 102984016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).