5-propan-2-yl-N-(1-pyridin-4-ylazetidin-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C16H19N7 — CID 166306908

IUPAC5-propan-2-yl-N-(1-pyridin-4-ylazetidin-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCC(C)c1cc(NC2CN(c3ccncc3)C2)n2ncnc2n1
InChIInChI=1S/C16H19N7/c1-11(2)14-7-15(23-16(21-14)18-10-19-23)20-12-8-22(9-12)13-3-5-17-6-4-13/h3-7,10-12,20H,8-9H2,1-2H3
InChIKeyBLUVVTHAUPRURX-UHFFFAOYSA-N
MW309.38 g/mol
LogP1.94
Rot. Bonds4

About 5-propan-2-yl-N-(1-pyridin-4-ylazetidin-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

5-propan-2-yl-N-(1-pyridin-4-ylazetidin-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 166306908) has the molecular formula C16H19N7 and a molecular weight of 309.38 g/mol. Its IUPAC name is 5-propan-2-yl-N-(1-pyridin-4-ylazetidin-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-propan-2-yl-N-(1-pyridin-4-ylazetidin-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID166306908
Molecular FormulaC16H19N7
Molecular Weight309.38 g/mol
Exact Mass309.17
IUPAC Name5-propan-2-yl-N-(1-pyridin-4-ylazetidin-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCC(C)c1cc(NC2CN(c3ccncc3)C2)n2ncnc2n1
InChIInChI=1S/C16H19N7/c1-11(2)14-7-15(23-16(21-14)18-10-19-23)20-12-8-22(9-12)13-3-5-17-6-4-13/h3-7,10-12,20H,8-9H2,1-2H3
InChIKeyBLUVVTHAUPRURX-UHFFFAOYSA-N
XLogP1.94
TPSA71.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.38
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-N-(1-pyridin-4-ylazetidin-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-propan-2-yl-N-(1-pyridin-4-ylazetidin-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 166306908) is 5-propan-2-yl-N-(1-pyridin-4-ylazetidin-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-propan-2-yl-N-(1-pyridin-4-ylazetidin-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-propan-2-yl-N-(1-pyridin-4-ylazetidin-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is CC(C)c1cc(NC2CN(c3ccncc3)C2)n2ncnc2n1.
What is the InChIKey of 5-propan-2-yl-N-(1-pyridin-4-ylazetidin-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is BLUVVTHAUPRURX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N7/c1-11(2)14-7-15(23-16(21-14)18-10-19-23)20-12-8-22(9-12)13-3-5-17-6-4-13/h3-7,10-12,20H,8-9H2,1-2H3.
What are the key properties of 5-propan-2-yl-N-(1-pyridin-4-ylazetidin-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
5-propan-2-yl-N-(1-pyridin-4-ylazetidin-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 309.38 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-N-(1-pyridin-4-ylazetidin-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 166306908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).