2,5,6-triamino-4-(3-hydroxyphenyl)pyridine-3-carbonitrile

C12H11N5O — CID 71012635

IUPAC2,5,6-triamino-4-(3-hydroxyphenyl)pyridine-3-carbonitrile
SMILESN#Cc1c(N)nc(N)c(N)c1-c1cccc(O)c1
InChIInChI=1S/C12H11N5O/c13-5-8-9(6-2-1-3-7(18)4-6)10(14)12(16)17-11(8)15/h1-4,18H,14H2,(H4,15,16,17)
InChIKeyFDYGFWQGXDAAIO-UHFFFAOYSA-N
MW241.25 g/mol
LogP1.07
Rot. Bonds1

About 2,5,6-triamino-4-(3-hydroxyphenyl)pyridine-3-carbonitrile

2,5,6-triamino-4-(3-hydroxyphenyl)pyridine-3-carbonitrile (PubChem CID 71012635) has the molecular formula C12H11N5O and a molecular weight of 241.25 g/mol. Its IUPAC name is 2,5,6-triamino-4-(3-hydroxyphenyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2,5,6-triamino-4-(3-hydroxyphenyl)pyridine-3-carbonitrile
PubChem CID71012635
Molecular FormulaC12H11N5O
Molecular Weight241.25 g/mol
Exact Mass241.10
IUPAC Name2,5,6-triamino-4-(3-hydroxyphenyl)pyridine-3-carbonitrile
SMILESN#Cc1c(N)nc(N)c(N)c1-c1cccc(O)c1
InChIInChI=1S/C12H11N5O/c13-5-8-9(6-2-1-3-7(18)4-6)10(14)12(16)17-11(8)15/h1-4,18H,14H2,(H4,15,16,17)
InChIKeyFDYGFWQGXDAAIO-UHFFFAOYSA-N
XLogP1.07
TPSA134.97 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 51.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,5,6-triamino-4-(3-hydroxyphenyl)pyridine-3-carbonitrile?
The IUPAC name of 2,5,6-triamino-4-(3-hydroxyphenyl)pyridine-3-carbonitrile (CID 71012635) is 2,5,6-triamino-4-(3-hydroxyphenyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2,5,6-triamino-4-(3-hydroxyphenyl)pyridine-3-carbonitrile?
The canonical SMILES for 2,5,6-triamino-4-(3-hydroxyphenyl)pyridine-3-carbonitrile is N#Cc1c(N)nc(N)c(N)c1-c1cccc(O)c1.
What is the InChIKey of 2,5,6-triamino-4-(3-hydroxyphenyl)pyridine-3-carbonitrile?
The InChIKey is FDYGFWQGXDAAIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5O/c13-5-8-9(6-2-1-3-7(18)4-6)10(14)12(16)17-11(8)15/h1-4,18H,14H2,(H4,15,16,17).
What are the key properties of 2,5,6-triamino-4-(3-hydroxyphenyl)pyridine-3-carbonitrile?
2,5,6-triamino-4-(3-hydroxyphenyl)pyridine-3-carbonitrile has a molecular weight of 241.25 g/mol, XLogP of 1.07, 1 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,6-triamino-4-(3-hydroxyphenyl)pyridine-3-carbonitrile is sourced from PubChem (CID 71012635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).