3-methyl-5-(propylamino)-6H-triazolo[4,5-d]pyrimidin-7-one

C8H12N6O — CID 170237990

IUPAC3-methyl-5-(propylamino)-6H-triazolo[4,5-d]pyrimidin-7-one
SMILESCCCNc1nc2c(nnn2C)c(=O)[nH]1
InChIInChI=1S/C8H12N6O/c1-3-4-9-8-10-6-5(7(15)11-8)12-13-14(6)2/h3-4H2,1-2H3,(H2,9,10,11,15)
InChIKeyNPNIOLZSSVQOBO-UHFFFAOYSA-N
MW208.22 g/mol
LogP-0.13
Rot. Bonds3

About 3-methyl-5-(propylamino)-6H-triazolo[4,5-d]pyrimidin-7-one

3-methyl-5-(propylamino)-6H-triazolo[4,5-d]pyrimidin-7-one (PubChem CID 170237990) has the molecular formula C8H12N6O and a molecular weight of 208.22 g/mol. Its IUPAC name is 3-methyl-5-(propylamino)-6H-triazolo[4,5-d]pyrimidin-7-one.

Molecular Properties

Compound Name3-methyl-5-(propylamino)-6H-triazolo[4,5-d]pyrimidin-7-one
PubChem CID170237990
Molecular FormulaC8H12N6O
Molecular Weight208.22 g/mol
Exact Mass208.11
IUPAC Name3-methyl-5-(propylamino)-6H-triazolo[4,5-d]pyrimidin-7-one
SMILESCCCNc1nc2c(nnn2C)c(=O)[nH]1
InChIInChI=1S/C8H12N6O/c1-3-4-9-8-10-6-5(7(15)11-8)12-13-14(6)2/h3-4H2,1-2H3,(H2,9,10,11,15)
InChIKeyNPNIOLZSSVQOBO-UHFFFAOYSA-N
XLogP-0.13
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(propylamino)-6H-triazolo[4,5-d]pyrimidin-7-one?
The IUPAC name of 3-methyl-5-(propylamino)-6H-triazolo[4,5-d]pyrimidin-7-one (CID 170237990) is 3-methyl-5-(propylamino)-6H-triazolo[4,5-d]pyrimidin-7-one.
What is the SMILES notation for 3-methyl-5-(propylamino)-6H-triazolo[4,5-d]pyrimidin-7-one?
The canonical SMILES for 3-methyl-5-(propylamino)-6H-triazolo[4,5-d]pyrimidin-7-one is CCCNc1nc2c(nnn2C)c(=O)[nH]1.
What is the InChIKey of 3-methyl-5-(propylamino)-6H-triazolo[4,5-d]pyrimidin-7-one?
The InChIKey is NPNIOLZSSVQOBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N6O/c1-3-4-9-8-10-6-5(7(15)11-8)12-13-14(6)2/h3-4H2,1-2H3,(H2,9,10,11,15).
What are the key properties of 3-methyl-5-(propylamino)-6H-triazolo[4,5-d]pyrimidin-7-one?
3-methyl-5-(propylamino)-6H-triazolo[4,5-d]pyrimidin-7-one has a molecular weight of 208.22 g/mol, XLogP of -0.13, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(propylamino)-6H-triazolo[4,5-d]pyrimidin-7-one is sourced from PubChem (CID 170237990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).