1-N-(pyrazin-2-ylmethyl)-2H-pyridine-1,6-diamine

C10H13N5 — CID 19911496

IUPAC1-N-(pyrazin-2-ylmethyl)-2H-pyridine-1,6-diamine
SMILESNC1=CC=CCN1NCc1cnccn1
InChIInChI=1S/C10H13N5/c11-10-3-1-2-6-15(10)14-8-9-7-12-4-5-13-9/h1-5,7,14H,6,8,11H2
InChIKeyPYTNOLUAXRGUKT-UHFFFAOYSA-N
MW203.25 g/mol
LogP0.15
Rot. Bonds3

About 1-N-(pyrazin-2-ylmethyl)-2H-pyridine-1,6-diamine

1-N-(pyrazin-2-ylmethyl)-2H-pyridine-1,6-diamine (PubChem CID 19911496) has the molecular formula C10H13N5 and a molecular weight of 203.25 g/mol. Its IUPAC name is 1-N-(pyrazin-2-ylmethyl)-2H-pyridine-1,6-diamine.

Molecular Properties

Compound Name1-N-(pyrazin-2-ylmethyl)-2H-pyridine-1,6-diamine
PubChem CID19911496
Molecular FormulaC10H13N5
Molecular Weight203.25 g/mol
Exact Mass203.12
IUPAC Name1-N-(pyrazin-2-ylmethyl)-2H-pyridine-1,6-diamine
SMILESNC1=CC=CCN1NCc1cnccn1
InChIInChI=1S/C10H13N5/c11-10-3-1-2-6-15(10)14-8-9-7-12-4-5-13-9/h1-5,7,14H,6,8,11H2
InChIKeyPYTNOLUAXRGUKT-UHFFFAOYSA-N
XLogP0.15
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-N-(pyrazin-2-ylmethyl)-2H-pyridine-1,6-diamine?
The IUPAC name of 1-N-(pyrazin-2-ylmethyl)-2H-pyridine-1,6-diamine (CID 19911496) is 1-N-(pyrazin-2-ylmethyl)-2H-pyridine-1,6-diamine.
What is the SMILES notation for 1-N-(pyrazin-2-ylmethyl)-2H-pyridine-1,6-diamine?
The canonical SMILES for 1-N-(pyrazin-2-ylmethyl)-2H-pyridine-1,6-diamine is NC1=CC=CCN1NCc1cnccn1.
What is the InChIKey of 1-N-(pyrazin-2-ylmethyl)-2H-pyridine-1,6-diamine?
The InChIKey is PYTNOLUAXRGUKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5/c11-10-3-1-2-6-15(10)14-8-9-7-12-4-5-13-9/h1-5,7,14H,6,8,11H2.
What are the key properties of 1-N-(pyrazin-2-ylmethyl)-2H-pyridine-1,6-diamine?
1-N-(pyrazin-2-ylmethyl)-2H-pyridine-1,6-diamine has a molecular weight of 203.25 g/mol, XLogP of 0.15, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(pyrazin-2-ylmethyl)-2H-pyridine-1,6-diamine is sourced from PubChem (CID 19911496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).