3-[7-(1,3,5-trimethylpyrazol-4-yl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]propan-1-amine

C14H23N7 — CID 136837662

IUPAC3-[7-(1,3,5-trimethylpyrazol-4-yl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]propan-1-amine
SMILESCc1nn(C)c(C)c1C1CCNc2nc(CCCN)nn21
InChIInChI=1S/C14H23N7/c1-9-13(10(2)20(3)18-9)11-6-8-16-14-17-12(5-4-7-15)19-21(11)14/h11H,4-8,15H2,1-3H3,(H,16,17,19)
InChIKeyFWPVJCNSMLBJQZ-UHFFFAOYSA-N
MW289.39 g/mol
LogP0.92
Rot. Bonds4

About 3-[7-(1,3,5-trimethylpyrazol-4-yl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]propan-1-amine

3-[7-(1,3,5-trimethylpyrazol-4-yl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]propan-1-amine (PubChem CID 136837662) has the molecular formula C14H23N7 and a molecular weight of 289.39 g/mol. Its IUPAC name is 3-[7-(1,3,5-trimethylpyrazol-4-yl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]propan-1-amine.

Molecular Properties

Compound Name3-[7-(1,3,5-trimethylpyrazol-4-yl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]propan-1-amine
PubChem CID136837662
Molecular FormulaC14H23N7
Molecular Weight289.39 g/mol
Exact Mass289.20
IUPAC Name3-[7-(1,3,5-trimethylpyrazol-4-yl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]propan-1-amine
SMILESCc1nn(C)c(C)c1C1CCNc2nc(CCCN)nn21
InChIInChI=1S/C14H23N7/c1-9-13(10(2)20(3)18-9)11-6-8-16-14-17-12(5-4-7-15)19-21(11)14/h11H,4-8,15H2,1-3H3,(H,16,17,19)
InChIKeyFWPVJCNSMLBJQZ-UHFFFAOYSA-N
XLogP0.92
TPSA86.58 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.39
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[7-(1,3,5-trimethylpyrazol-4-yl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]propan-1-amine?
The IUPAC name of 3-[7-(1,3,5-trimethylpyrazol-4-yl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]propan-1-amine (CID 136837662) is 3-[7-(1,3,5-trimethylpyrazol-4-yl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]propan-1-amine.
What is the SMILES notation for 3-[7-(1,3,5-trimethylpyrazol-4-yl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]propan-1-amine?
The canonical SMILES for 3-[7-(1,3,5-trimethylpyrazol-4-yl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]propan-1-amine is Cc1nn(C)c(C)c1C1CCNc2nc(CCCN)nn21.
What is the InChIKey of 3-[7-(1,3,5-trimethylpyrazol-4-yl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]propan-1-amine?
The InChIKey is FWPVJCNSMLBJQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N7/c1-9-13(10(2)20(3)18-9)11-6-8-16-14-17-12(5-4-7-15)19-21(11)14/h11H,4-8,15H2,1-3H3,(H,16,17,19).
What are the key properties of 3-[7-(1,3,5-trimethylpyrazol-4-yl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]propan-1-amine?
3-[7-(1,3,5-trimethylpyrazol-4-yl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]propan-1-amine has a molecular weight of 289.39 g/mol, XLogP of 0.92, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[7-(1,3,5-trimethylpyrazol-4-yl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]propan-1-amine is sourced from PubChem (CID 136837662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).