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

C5H8N6 — CID 165114087

IUPAC4,5-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-diamine
SMILESNC1=CC(N)Nc2ncnn21
InChIInChI=1S/C5H8N6/c6-3-1-4(7)11-5(10-3)8-2-9-11/h1-3H,6-7H2,(H,8,9,10)
InChIKeyACSVOPIJQWAWKW-UHFFFAOYSA-N
MW152.16 g/mol
LogP-1.25
Rot. Bonds

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

4,5-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-diamine (PubChem CID 165114087) has the molecular formula C5H8N6 and a molecular weight of 152.16 g/mol. Its IUPAC name is 4,5-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-diamine.

Molecular Properties

Compound Name4,5-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-diamine
PubChem CID165114087
Molecular FormulaC5H8N6
Molecular Weight152.16 g/mol
Exact Mass152.08
IUPAC Name4,5-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-diamine
SMILESNC1=CC(N)Nc2ncnn21
InChIInChI=1S/C5H8N6/c6-3-1-4(7)11-5(10-3)8-2-9-11/h1-3H,6-7H2,(H,8,9,10)
InChIKeyACSVOPIJQWAWKW-UHFFFAOYSA-N
XLogP-1.25
TPSA94.78 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.16
LogP ≤ 5-1.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4,5-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-diamine?
The IUPAC name of 4,5-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-diamine (CID 165114087) is 4,5-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-diamine.
What is the SMILES notation for 4,5-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-diamine?
The canonical SMILES for 4,5-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-diamine is NC1=CC(N)Nc2ncnn21.
What is the InChIKey of 4,5-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-diamine?
The InChIKey is ACSVOPIJQWAWKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N6/c6-3-1-4(7)11-5(10-3)8-2-9-11/h1-3H,6-7H2,(H,8,9,10).
What are the key properties of 4,5-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-diamine?
4,5-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-diamine has a molecular weight of 152.16 g/mol, XLogP of -1.25, 0 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-diamine is sourced from PubChem (CID 165114087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).