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

C11H21N5 — CID 136837668

IUPAC3-(7-propan-2-yl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propan-1-amine
SMILESCC(C)C1CCNc2nc(CCCN)nn21
InChIInChI=1S/C11H21N5/c1-8(2)9-5-7-13-11-14-10(4-3-6-12)15-16(9)11/h8-9H,3-7,12H2,1-2H3,(H,13,14,15)
InChIKeyVKSNICFHATUPDB-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.18
Rot. Bonds4

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

3-(7-propan-2-yl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propan-1-amine (PubChem CID 136837668) has the molecular formula C11H21N5 and a molecular weight of 223.32 g/mol. Its IUPAC name is 3-(7-propan-2-yl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propan-1-amine.

Molecular Properties

Compound Name3-(7-propan-2-yl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propan-1-amine
PubChem CID136837668
Molecular FormulaC11H21N5
Molecular Weight223.32 g/mol
Exact Mass223.18
IUPAC Name3-(7-propan-2-yl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propan-1-amine
SMILESCC(C)C1CCNc2nc(CCCN)nn21
InChIInChI=1S/C11H21N5/c1-8(2)9-5-7-13-11-14-10(4-3-6-12)15-16(9)11/h8-9H,3-7,12H2,1-2H3,(H,13,14,15)
InChIKeyVKSNICFHATUPDB-UHFFFAOYSA-N
XLogP1.18
TPSA68.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(7-propan-2-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-propan-2-yl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propan-1-amine (CID 136837668) is 3-(7-propan-2-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-propan-2-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-propan-2-yl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propan-1-amine is CC(C)C1CCNc2nc(CCCN)nn21.
What is the InChIKey of 3-(7-propan-2-yl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propan-1-amine?
The InChIKey is VKSNICFHATUPDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5/c1-8(2)9-5-7-13-11-14-10(4-3-6-12)15-16(9)11/h8-9H,3-7,12H2,1-2H3,(H,13,14,15).
What are the key properties of 3-(7-propan-2-yl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propan-1-amine?
3-(7-propan-2-yl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propan-1-amine has a molecular weight of 223.32 g/mol, XLogP of 1.18, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-propan-2-yl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propan-1-amine is sourced from PubChem (CID 136837668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).