N-(2,2-dimethyl-1,3-dioxan-5-yl)-2-(1,2,4-triazol-1-yl)pyridin-3-amine

C13H17N5O2 — CID 106658676

IUPACN-(2,2-dimethyl-1,3-dioxan-5-yl)-2-(1,2,4-triazol-1-yl)pyridin-3-amine
SMILESCC1(C)OCC(Nc2cccnc2-n2cncn2)CO1
InChIInChI=1S/C13H17N5O2/c1-13(2)19-6-10(7-20-13)17-11-4-3-5-15-12(11)18-9-14-8-16-18/h3-5,8-10,17H,6-7H2,1-2H3
InChIKeyYDDIAQTYJGFBQC-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.23
Rot. Bonds3

About N-(2,2-dimethyl-1,3-dioxan-5-yl)-2-(1,2,4-triazol-1-yl)pyridin-3-amine

N-(2,2-dimethyl-1,3-dioxan-5-yl)-2-(1,2,4-triazol-1-yl)pyridin-3-amine (PubChem CID 106658676) has the molecular formula C13H17N5O2 and a molecular weight of 275.31 g/mol. Its IUPAC name is N-(2,2-dimethyl-1,3-dioxan-5-yl)-2-(1,2,4-triazol-1-yl)pyridin-3-amine.

Molecular Properties

Compound NameN-(2,2-dimethyl-1,3-dioxan-5-yl)-2-(1,2,4-triazol-1-yl)pyridin-3-amine
PubChem CID106658676
Molecular FormulaC13H17N5O2
Molecular Weight275.31 g/mol
Exact Mass275.14
IUPAC NameN-(2,2-dimethyl-1,3-dioxan-5-yl)-2-(1,2,4-triazol-1-yl)pyridin-3-amine
SMILESCC1(C)OCC(Nc2cccnc2-n2cncn2)CO1
InChIInChI=1S/C13H17N5O2/c1-13(2)19-6-10(7-20-13)17-11-4-3-5-15-12(11)18-9-14-8-16-18/h3-5,8-10,17H,6-7H2,1-2H3
InChIKeyYDDIAQTYJGFBQC-UHFFFAOYSA-N
XLogP1.23
TPSA74.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethyl-1,3-dioxan-5-yl)-2-(1,2,4-triazol-1-yl)pyridin-3-amine?
The IUPAC name of N-(2,2-dimethyl-1,3-dioxan-5-yl)-2-(1,2,4-triazol-1-yl)pyridin-3-amine (CID 106658676) is N-(2,2-dimethyl-1,3-dioxan-5-yl)-2-(1,2,4-triazol-1-yl)pyridin-3-amine.
What is the SMILES notation for N-(2,2-dimethyl-1,3-dioxan-5-yl)-2-(1,2,4-triazol-1-yl)pyridin-3-amine?
The canonical SMILES for N-(2,2-dimethyl-1,3-dioxan-5-yl)-2-(1,2,4-triazol-1-yl)pyridin-3-amine is CC1(C)OCC(Nc2cccnc2-n2cncn2)CO1.
What is the InChIKey of N-(2,2-dimethyl-1,3-dioxan-5-yl)-2-(1,2,4-triazol-1-yl)pyridin-3-amine?
The InChIKey is YDDIAQTYJGFBQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O2/c1-13(2)19-6-10(7-20-13)17-11-4-3-5-15-12(11)18-9-14-8-16-18/h3-5,8-10,17H,6-7H2,1-2H3.
What are the key properties of N-(2,2-dimethyl-1,3-dioxan-5-yl)-2-(1,2,4-triazol-1-yl)pyridin-3-amine?
N-(2,2-dimethyl-1,3-dioxan-5-yl)-2-(1,2,4-triazol-1-yl)pyridin-3-amine has a molecular weight of 275.31 g/mol, XLogP of 1.23, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethyl-1,3-dioxan-5-yl)-2-(1,2,4-triazol-1-yl)pyridin-3-amine is sourced from PubChem (CID 106658676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).