3-N-(pyridin-4-ylmethyl)-5-thiophen-3-ylpyrazine-2,3-diamine

C14H13N5S — CID 86000949

IUPAC3-N-(pyridin-4-ylmethyl)-5-thiophen-3-ylpyrazine-2,3-diamine
SMILESNc1ncc(-c2ccsc2)nc1NCc1ccncc1
InChIInChI=1S/C14H13N5S/c15-13-14(18-7-10-1-4-16-5-2-10)19-12(8-17-13)11-3-6-20-9-11/h1-6,8-9H,7H2,(H2,15,17)(H,18,19)
InChIKeyCVBRPWWCPRZXKY-UHFFFAOYSA-N
MW283.36 g/mol
LogP2.79
Rot. Bonds4

About 3-N-(pyridin-4-ylmethyl)-5-thiophen-3-ylpyrazine-2,3-diamine

3-N-(pyridin-4-ylmethyl)-5-thiophen-3-ylpyrazine-2,3-diamine (PubChem CID 86000949) has the molecular formula C14H13N5S and a molecular weight of 283.36 g/mol. Its IUPAC name is 3-N-(pyridin-4-ylmethyl)-5-thiophen-3-ylpyrazine-2,3-diamine.

Molecular Properties

Compound Name3-N-(pyridin-4-ylmethyl)-5-thiophen-3-ylpyrazine-2,3-diamine
PubChem CID86000949
Molecular FormulaC14H13N5S
Molecular Weight283.36 g/mol
Exact Mass283.09
IUPAC Name3-N-(pyridin-4-ylmethyl)-5-thiophen-3-ylpyrazine-2,3-diamine
SMILESNc1ncc(-c2ccsc2)nc1NCc1ccncc1
InChIInChI=1S/C14H13N5S/c15-13-14(18-7-10-1-4-16-5-2-10)19-12(8-17-13)11-3-6-20-9-11/h1-6,8-9H,7H2,(H2,15,17)(H,18,19)
InChIKeyCVBRPWWCPRZXKY-UHFFFAOYSA-N
XLogP2.79
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.36
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-N-(pyridin-4-ylmethyl)-5-thiophen-3-ylpyrazine-2,3-diamine?
The IUPAC name of 3-N-(pyridin-4-ylmethyl)-5-thiophen-3-ylpyrazine-2,3-diamine (CID 86000949) is 3-N-(pyridin-4-ylmethyl)-5-thiophen-3-ylpyrazine-2,3-diamine.
What is the SMILES notation for 3-N-(pyridin-4-ylmethyl)-5-thiophen-3-ylpyrazine-2,3-diamine?
The canonical SMILES for 3-N-(pyridin-4-ylmethyl)-5-thiophen-3-ylpyrazine-2,3-diamine is Nc1ncc(-c2ccsc2)nc1NCc1ccncc1.
What is the InChIKey of 3-N-(pyridin-4-ylmethyl)-5-thiophen-3-ylpyrazine-2,3-diamine?
The InChIKey is CVBRPWWCPRZXKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5S/c15-13-14(18-7-10-1-4-16-5-2-10)19-12(8-17-13)11-3-6-20-9-11/h1-6,8-9H,7H2,(H2,15,17)(H,18,19).
What are the key properties of 3-N-(pyridin-4-ylmethyl)-5-thiophen-3-ylpyrazine-2,3-diamine?
3-N-(pyridin-4-ylmethyl)-5-thiophen-3-ylpyrazine-2,3-diamine has a molecular weight of 283.36 g/mol, XLogP of 2.79, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(pyridin-4-ylmethyl)-5-thiophen-3-ylpyrazine-2,3-diamine is sourced from PubChem (CID 86000949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).