2-amino-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

C8H11N5O — CID 3670101

IUPAC2-amino-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCCCc1cc(=O)n2[nH]c(N)nc2n1
InChIInChI=1S/C8H11N5O/c1-2-3-5-4-6(14)13-8(10-5)11-7(9)12-13/h4H,2-3H2,1H3,(H3,9,10,11,12)
InChIKeyGBPHKZAUMLUTOP-UHFFFAOYSA-N
MW193.21 g/mol
LogP-0.05
Rot. Bonds2

About 2-amino-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

2-amino-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (PubChem CID 3670101) has the molecular formula C8H11N5O and a molecular weight of 193.21 g/mol. Its IUPAC name is 2-amino-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name2-amino-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
PubChem CID3670101
Molecular FormulaC8H11N5O
Molecular Weight193.21 g/mol
Exact Mass193.10
IUPAC Name2-amino-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCCCc1cc(=O)n2[nH]c(N)nc2n1
InChIInChI=1S/C8H11N5O/c1-2-3-5-4-6(14)13-8(10-5)11-7(9)12-13/h4H,2-3H2,1H3,(H3,9,10,11,12)
InChIKeyGBPHKZAUMLUTOP-UHFFFAOYSA-N
XLogP-0.05
TPSA89.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-5-propyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 666943
5-Propyl(1,2,4)triazolo(1,5-a)pyrimidin-7-ol
CID 666963
2-amino-5-methyl-3H,7H-(1,2,4)triazolo(1,5-a)pyrimidin-7-one
CID 350273
2-Amino-5-isopropyl[1,2,4]triazolo[1,5-a]pyrimidin-7(3H)-one
CID 591751
6-Ethyl-2-hydrazinyl-4(3H)-pyrimidinone
CID 135876279
2-amino-5-tert-butyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
CID 673166
2-Hydrazinyl-6-propyl-3,4-dihydropyrimidin-4-one
CID 135762281
2-methyl-5-(propan-2-yl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 16448740
5-Propyl-2-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidin-7-ol
CID 1967351
5-butyl-4H,7H-(1,2,4)triazolo(1,5-a)pyrimidin-7-one
CID 18996564
(1,2,4)Triazolo(1,5-a)pyrimidin-7(1H)-one, 2-amino-5-ethyl-
CID 50987841
2-(5-ethyl-3-oxo-1H-pyrazol-2-yl)-4-methyl-1H-pyrimidin-6-one
CID 162648627

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 2-amino-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (CID 3670101) is 2-amino-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 2-amino-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 2-amino-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is CCCc1cc(=O)n2[nH]c(N)nc2n1.
What is the InChIKey of 2-amino-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The InChIKey is GBPHKZAUMLUTOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5O/c1-2-3-5-4-6(14)13-8(10-5)11-7(9)12-13/h4H,2-3H2,1H3,(H3,9,10,11,12).
What are the key properties of 2-amino-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
2-amino-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one has a molecular weight of 193.21 g/mol, XLogP of -0.05, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 3670101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).