5-[[[2-amino-1-(5-amino-1,3,4-oxadiazol-2-yl)ethyl]-methylamino]methyl]pyridine-2-carbonitrile

C12H15N7O — CID 171587929

IUPAC5-[[[2-amino-1-(5-amino-1,3,4-oxadiazol-2-yl)ethyl]-methylamino]methyl]pyridine-2-carbonitrile
SMILESCN(Cc1ccc(C#N)nc1)C(CN)c1nnc(N)o1
InChIInChI=1S/C12H15N7O/c1-19(7-8-2-3-9(4-13)16-6-8)10(5-14)11-17-18-12(15)20-11/h2-3,6,10H,5,7,14H2,1H3,(H2,15,18)
InChIKeySGZNHZMRTWMZME-UHFFFAOYSA-N
MW273.30 g/mol
LogP0.05
Rot. Bonds5

About 5-[[[2-amino-1-(5-amino-1,3,4-oxadiazol-2-yl)ethyl]-methylamino]methyl]pyridine-2-carbonitrile

5-[[[2-amino-1-(5-amino-1,3,4-oxadiazol-2-yl)ethyl]-methylamino]methyl]pyridine-2-carbonitrile (PubChem CID 171587929) has the molecular formula C12H15N7O and a molecular weight of 273.30 g/mol. Its IUPAC name is 5-[[[2-amino-1-(5-amino-1,3,4-oxadiazol-2-yl)ethyl]-methylamino]methyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-[[[2-amino-1-(5-amino-1,3,4-oxadiazol-2-yl)ethyl]-methylamino]methyl]pyridine-2-carbonitrile
PubChem CID171587929
Molecular FormulaC12H15N7O
Molecular Weight273.30 g/mol
Exact Mass273.13
IUPAC Name5-[[[2-amino-1-(5-amino-1,3,4-oxadiazol-2-yl)ethyl]-methylamino]methyl]pyridine-2-carbonitrile
SMILESCN(Cc1ccc(C#N)nc1)C(CN)c1nnc(N)o1
InChIInChI=1S/C12H15N7O/c1-19(7-8-2-3-9(4-13)16-6-8)10(5-14)11-17-18-12(15)20-11/h2-3,6,10H,5,7,14H2,1H3,(H2,15,18)
InChIKeySGZNHZMRTWMZME-UHFFFAOYSA-N
XLogP0.05
TPSA130.88 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[[[2-amino-1-(5-amino-1,3,4-oxadiazol-2-yl)ethyl]-methylamino]methyl]pyridine-2-carbonitrile?
The IUPAC name of 5-[[[2-amino-1-(5-amino-1,3,4-oxadiazol-2-yl)ethyl]-methylamino]methyl]pyridine-2-carbonitrile (CID 171587929) is 5-[[[2-amino-1-(5-amino-1,3,4-oxadiazol-2-yl)ethyl]-methylamino]methyl]pyridine-2-carbonitrile.
What is the SMILES notation for 5-[[[2-amino-1-(5-amino-1,3,4-oxadiazol-2-yl)ethyl]-methylamino]methyl]pyridine-2-carbonitrile?
The canonical SMILES for 5-[[[2-amino-1-(5-amino-1,3,4-oxadiazol-2-yl)ethyl]-methylamino]methyl]pyridine-2-carbonitrile is CN(Cc1ccc(C#N)nc1)C(CN)c1nnc(N)o1.
What is the InChIKey of 5-[[[2-amino-1-(5-amino-1,3,4-oxadiazol-2-yl)ethyl]-methylamino]methyl]pyridine-2-carbonitrile?
The InChIKey is SGZNHZMRTWMZME-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N7O/c1-19(7-8-2-3-9(4-13)16-6-8)10(5-14)11-17-18-12(15)20-11/h2-3,6,10H,5,7,14H2,1H3,(H2,15,18).
What are the key properties of 5-[[[2-amino-1-(5-amino-1,3,4-oxadiazol-2-yl)ethyl]-methylamino]methyl]pyridine-2-carbonitrile?
5-[[[2-amino-1-(5-amino-1,3,4-oxadiazol-2-yl)ethyl]-methylamino]methyl]pyridine-2-carbonitrile has a molecular weight of 273.30 g/mol, XLogP of 0.05, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[2-amino-1-(5-amino-1,3,4-oxadiazol-2-yl)ethyl]-methylamino]methyl]pyridine-2-carbonitrile is sourced from PubChem (CID 171587929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).