2-[[3-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]amino]pyridine-4-carbonitrile

C14H16N6O — CID 91834936

IUPAC2-[[3-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]amino]pyridine-4-carbonitrile
SMILESCn1c(CO)nnc1C1CC(Nc2cc(C#N)ccn2)C1
InChIInChI=1S/C14H16N6O/c1-20-13(8-21)18-19-14(20)10-5-11(6-10)17-12-4-9(7-15)2-3-16-12/h2-4,10-11,21H,5-6,8H2,1H3,(H,16,17)
InChIKeyKIHHCWPLJBCLFL-UHFFFAOYSA-N
MW284.32 g/mol
LogP0.93
Rot. Bonds4

About 2-[[3-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]amino]pyridine-4-carbonitrile

2-[[3-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]amino]pyridine-4-carbonitrile (PubChem CID 91834936) has the molecular formula C14H16N6O and a molecular weight of 284.32 g/mol. Its IUPAC name is 2-[[3-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]amino]pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[[3-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]amino]pyridine-4-carbonitrile
PubChem CID91834936
Molecular FormulaC14H16N6O
Molecular Weight284.32 g/mol
Exact Mass284.14
IUPAC Name2-[[3-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]amino]pyridine-4-carbonitrile
SMILESCn1c(CO)nnc1C1CC(Nc2cc(C#N)ccn2)C1
InChIInChI=1S/C14H16N6O/c1-20-13(8-21)18-19-14(20)10-5-11(6-10)17-12-4-9(7-15)2-3-16-12/h2-4,10-11,21H,5-6,8H2,1H3,(H,16,17)
InChIKeyKIHHCWPLJBCLFL-UHFFFAOYSA-N
XLogP0.93
TPSA99.65 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]amino]pyridine-4-carbonitrile?
The IUPAC name of 2-[[3-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]amino]pyridine-4-carbonitrile (CID 91834936) is 2-[[3-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]amino]pyridine-4-carbonitrile.
What is the SMILES notation for 2-[[3-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]amino]pyridine-4-carbonitrile?
The canonical SMILES for 2-[[3-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]amino]pyridine-4-carbonitrile is Cn1c(CO)nnc1C1CC(Nc2cc(C#N)ccn2)C1.
What is the InChIKey of 2-[[3-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]amino]pyridine-4-carbonitrile?
The InChIKey is KIHHCWPLJBCLFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6O/c1-20-13(8-21)18-19-14(20)10-5-11(6-10)17-12-4-9(7-15)2-3-16-12/h2-4,10-11,21H,5-6,8H2,1H3,(H,16,17).
What are the key properties of 2-[[3-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]amino]pyridine-4-carbonitrile?
2-[[3-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]amino]pyridine-4-carbonitrile has a molecular weight of 284.32 g/mol, XLogP of 0.93, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]amino]pyridine-4-carbonitrile is sourced from PubChem (CID 91834936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).