7-propan-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine

C8H12N4 — CID 136694506

IUPAC7-propan-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCC(C)C1C=CNc2ncnn21
InChIInChI=1S/C8H12N4/c1-6(2)7-3-4-9-8-10-5-11-12(7)8/h3-7H,1-2H3,(H,9,10,11)
InChIKeyWDKZYGMXLPDTJG-UHFFFAOYSA-N
MW164.21 g/mol
LogP1.41
Rot. Bonds1

About 7-propan-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine

7-propan-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 136694506) has the molecular formula C8H12N4 and a molecular weight of 164.21 g/mol. Its IUPAC name is 7-propan-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-propan-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID136694506
Molecular FormulaC8H12N4
Molecular Weight164.21 g/mol
Exact Mass164.11
IUPAC Name7-propan-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCC(C)C1C=CNc2ncnn21
InChIInChI=1S/C8H12N4/c1-6(2)7-3-4-9-8-10-5-11-12(7)8/h3-7H,1-2H3,(H,9,10,11)
InChIKeyWDKZYGMXLPDTJG-UHFFFAOYSA-N
XLogP1.41
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-propan-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 7-propan-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine (CID 136694506) is 7-propan-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-propan-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-propan-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine is CC(C)C1C=CNc2ncnn21.
What is the InChIKey of 7-propan-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is WDKZYGMXLPDTJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4/c1-6(2)7-3-4-9-8-10-5-11-12(7)8/h3-7H,1-2H3,(H,9,10,11).
What are the key properties of 7-propan-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine?
7-propan-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 164.21 g/mol, XLogP of 1.41, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-propan-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 136694506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).