1-N-pyrazin-2-ylcyclopentane-1,2-diamine

C9H14N4 — CID 63252369

IUPAC1-N-pyrazin-2-ylcyclopentane-1,2-diamine
SMILESNC1CCCC1Nc1cnccn1
InChIInChI=1S/C9H14N4/c10-7-2-1-3-8(7)13-9-6-11-4-5-12-9/h4-8H,1-3,10H2,(H,12,13)
InChIKeyJNZDTMNYKUJIJE-UHFFFAOYSA-N
MW178.24 g/mol
LogP0.77
Rot. Bonds2

About 1-N-pyrazin-2-ylcyclopentane-1,2-diamine

1-N-pyrazin-2-ylcyclopentane-1,2-diamine (PubChem CID 63252369) has the molecular formula C9H14N4 and a molecular weight of 178.24 g/mol. Its IUPAC name is 1-N-pyrazin-2-ylcyclopentane-1,2-diamine.

Molecular Properties

Compound Name1-N-pyrazin-2-ylcyclopentane-1,2-diamine
PubChem CID63252369
Molecular FormulaC9H14N4
Molecular Weight178.24 g/mol
Exact Mass178.12
IUPAC Name1-N-pyrazin-2-ylcyclopentane-1,2-diamine
SMILESNC1CCCC1Nc1cnccn1
InChIInChI=1S/C9H14N4/c10-7-2-1-3-8(7)13-9-6-11-4-5-12-9/h4-8H,1-3,10H2,(H,12,13)
InChIKeyJNZDTMNYKUJIJE-UHFFFAOYSA-N
XLogP0.77
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-N-pyrazin-2-ylcyclopentane-1,2-diamine?
The IUPAC name of 1-N-pyrazin-2-ylcyclopentane-1,2-diamine (CID 63252369) is 1-N-pyrazin-2-ylcyclopentane-1,2-diamine.
What is the SMILES notation for 1-N-pyrazin-2-ylcyclopentane-1,2-diamine?
The canonical SMILES for 1-N-pyrazin-2-ylcyclopentane-1,2-diamine is NC1CCCC1Nc1cnccn1.
What is the InChIKey of 1-N-pyrazin-2-ylcyclopentane-1,2-diamine?
The InChIKey is JNZDTMNYKUJIJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4/c10-7-2-1-3-8(7)13-9-6-11-4-5-12-9/h4-8H,1-3,10H2,(H,12,13).
What are the key properties of 1-N-pyrazin-2-ylcyclopentane-1,2-diamine?
1-N-pyrazin-2-ylcyclopentane-1,2-diamine has a molecular weight of 178.24 g/mol, XLogP of 0.77, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-pyrazin-2-ylcyclopentane-1,2-diamine is sourced from PubChem (CID 63252369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).