2-amino-5-(3-aminoprop-1-enyl)pyridine-3-carbonitrile

C9H10N4 — CID 169463667

IUPAC2-amino-5-(3-aminoprop-1-enyl)pyridine-3-carbonitrile
SMILESN#Cc1cc(C=CCN)cnc1N
InChIInChI=1S/C9H10N4/c10-3-1-2-7-4-8(5-11)9(12)13-6-7/h1-2,4,6H,3,10H2,(H2,12,13)
InChIKeyMETPRYRQTHRFKF-UHFFFAOYSA-N
MW174.21 g/mol
LogP0.51
Rot. Bonds2

About 2-amino-5-(3-aminoprop-1-enyl)pyridine-3-carbonitrile

2-amino-5-(3-aminoprop-1-enyl)pyridine-3-carbonitrile (PubChem CID 169463667) has the molecular formula C9H10N4 and a molecular weight of 174.21 g/mol. Its IUPAC name is 2-amino-5-(3-aminoprop-1-enyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-5-(3-aminoprop-1-enyl)pyridine-3-carbonitrile
PubChem CID169463667
Molecular FormulaC9H10N4
Molecular Weight174.21 g/mol
Exact Mass174.09
IUPAC Name2-amino-5-(3-aminoprop-1-enyl)pyridine-3-carbonitrile
SMILESN#Cc1cc(C=CCN)cnc1N
InChIInChI=1S/C9H10N4/c10-3-1-2-7-4-8(5-11)9(12)13-6-7/h1-2,4,6H,3,10H2,(H2,12,13)
InChIKeyMETPRYRQTHRFKF-UHFFFAOYSA-N
XLogP0.51
TPSA88.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.21
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(3-aminoprop-1-enyl)pyridine-3-carbonitrile?
The IUPAC name of 2-amino-5-(3-aminoprop-1-enyl)pyridine-3-carbonitrile (CID 169463667) is 2-amino-5-(3-aminoprop-1-enyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-5-(3-aminoprop-1-enyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-5-(3-aminoprop-1-enyl)pyridine-3-carbonitrile is N#Cc1cc(C=CCN)cnc1N.
What is the InChIKey of 2-amino-5-(3-aminoprop-1-enyl)pyridine-3-carbonitrile?
The InChIKey is METPRYRQTHRFKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4/c10-3-1-2-7-4-8(5-11)9(12)13-6-7/h1-2,4,6H,3,10H2,(H2,12,13).
What are the key properties of 2-amino-5-(3-aminoprop-1-enyl)pyridine-3-carbonitrile?
2-amino-5-(3-aminoprop-1-enyl)pyridine-3-carbonitrile has a molecular weight of 174.21 g/mol, XLogP of 0.51, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(3-aminoprop-1-enyl)pyridine-3-carbonitrile is sourced from PubChem (CID 169463667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).