5-pent-1-ynylpyridin-2-amine

C10H12N2 — CID 118218227

IUPAC5-pent-1-ynylpyridin-2-amine
SMILESCCCC#Cc1ccc(N)nc1
InChIInChI=1S/C10H12N2/c1-2-3-4-5-9-6-7-10(11)12-8-9/h6-8H,2-3H2,1H3,(H2,11,12)
InChIKeyWHBIPXRETLNZFS-UHFFFAOYSA-N
MW160.22 g/mol
LogP1.82
Rot. Bonds1

About 5-pent-1-ynylpyridin-2-amine

5-pent-1-ynylpyridin-2-amine (PubChem CID 118218227) has the molecular formula C10H12N2 and a molecular weight of 160.22 g/mol. Its IUPAC name is 5-pent-1-ynylpyridin-2-amine.

Molecular Properties

Compound Name5-pent-1-ynylpyridin-2-amine
PubChem CID118218227
Molecular FormulaC10H12N2
Molecular Weight160.22 g/mol
Exact Mass160.10
IUPAC Name5-pent-1-ynylpyridin-2-amine
SMILESCCCC#Cc1ccc(N)nc1
InChIInChI=1S/C10H12N2/c1-2-3-4-5-9-6-7-10(11)12-8-9/h6-8H,2-3H2,1H3,(H2,11,12)
InChIKeyWHBIPXRETLNZFS-UHFFFAOYSA-N
XLogP1.82
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-pent-1-ynylpyridin-2-amine?
The IUPAC name of 5-pent-1-ynylpyridin-2-amine (CID 118218227) is 5-pent-1-ynylpyridin-2-amine.
What is the SMILES notation for 5-pent-1-ynylpyridin-2-amine?
The canonical SMILES for 5-pent-1-ynylpyridin-2-amine is CCCC#Cc1ccc(N)nc1.
What is the InChIKey of 5-pent-1-ynylpyridin-2-amine?
The InChIKey is WHBIPXRETLNZFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2/c1-2-3-4-5-9-6-7-10(11)12-8-9/h6-8H,2-3H2,1H3,(H2,11,12).
What are the key properties of 5-pent-1-ynylpyridin-2-amine?
5-pent-1-ynylpyridin-2-amine has a molecular weight of 160.22 g/mol, XLogP of 1.82, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pent-1-ynylpyridin-2-amine is sourced from PubChem (CID 118218227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).