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

C8H12N4 — CID 136694501

IUPAC5-propan-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCC(C)C1=CCn2ncnc2N1
InChIInChI=1S/C8H12N4/c1-6(2)7-3-4-12-8(11-7)9-5-10-12/h3,5-6H,4H2,1-2H3,(H,9,10,11)
InChIKeyUEOPTLNOONIUIC-UHFFFAOYSA-N
MW164.21 g/mol
LogP1.24
Rot. Bonds1

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

5-propan-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 136694501) has the molecular formula C8H12N4 and a molecular weight of 164.21 g/mol. Its IUPAC name is 5-propan-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-propan-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID136694501
Molecular FormulaC8H12N4
Molecular Weight164.21 g/mol
Exact Mass164.11
IUPAC Name5-propan-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCC(C)C1=CCn2ncnc2N1
InChIInChI=1S/C8H12N4/c1-6(2)7-3-4-12-8(11-7)9-5-10-12/h3,5-6H,4H2,1-2H3,(H,9,10,11)
InChIKeyUEOPTLNOONIUIC-UHFFFAOYSA-N
XLogP1.24
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 ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 5-propan-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine (CID 136694501) is 5-propan-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-propan-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-propan-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine is CC(C)C1=CCn2ncnc2N1.
What is the InChIKey of 5-propan-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is UEOPTLNOONIUIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4/c1-6(2)7-3-4-12-8(11-7)9-5-10-12/h3,5-6H,4H2,1-2H3,(H,9,10,11).
What are the key properties of 5-propan-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine?
5-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 1.24, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 136694501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).