N-(3-methoxypropyl)-3-methyltriazolo[4,5-d]pyrimidin-7-amine

C9H14N6O — CID 7424121

IUPACN-(3-methoxypropyl)-3-methyltriazolo[4,5-d]pyrimidin-7-amine
SMILESCOCCCNc1ncnc2c1nnn2C
InChIInChI=1S/C9H14N6O/c1-15-9-7(13-14-15)8(11-6-12-9)10-4-3-5-16-2/h6H,3-5H2,1-2H3,(H,10,11,12)
InChIKeyQGAKMXHVEHPFAL-UHFFFAOYSA-N
MW222.25 g/mol
LogP0.21
Rot. Bonds5

About N-(3-methoxypropyl)-3-methyltriazolo[4,5-d]pyrimidin-7-amine

N-(3-methoxypropyl)-3-methyltriazolo[4,5-d]pyrimidin-7-amine (PubChem CID 7424121) has the molecular formula C9H14N6O and a molecular weight of 222.25 g/mol. Its IUPAC name is N-(3-methoxypropyl)-3-methyltriazolo[4,5-d]pyrimidin-7-amine.

Molecular Properties

Compound NameN-(3-methoxypropyl)-3-methyltriazolo[4,5-d]pyrimidin-7-amine
PubChem CID7424121
Molecular FormulaC9H14N6O
Molecular Weight222.25 g/mol
Exact Mass222.12
IUPAC NameN-(3-methoxypropyl)-3-methyltriazolo[4,5-d]pyrimidin-7-amine
SMILESCOCCCNc1ncnc2c1nnn2C
InChIInChI=1S/C9H14N6O/c1-15-9-7(13-14-15)8(11-6-12-9)10-4-3-5-16-2/h6H,3-5H2,1-2H3,(H,10,11,12)
InChIKeyQGAKMXHVEHPFAL-UHFFFAOYSA-N
XLogP0.21
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-3-methyltriazolo[4,5-d]pyrimidin-7-amine?
The IUPAC name of N-(3-methoxypropyl)-3-methyltriazolo[4,5-d]pyrimidin-7-amine (CID 7424121) is N-(3-methoxypropyl)-3-methyltriazolo[4,5-d]pyrimidin-7-amine.
What is the SMILES notation for N-(3-methoxypropyl)-3-methyltriazolo[4,5-d]pyrimidin-7-amine?
The canonical SMILES for N-(3-methoxypropyl)-3-methyltriazolo[4,5-d]pyrimidin-7-amine is COCCCNc1ncnc2c1nnn2C.
What is the InChIKey of N-(3-methoxypropyl)-3-methyltriazolo[4,5-d]pyrimidin-7-amine?
The InChIKey is QGAKMXHVEHPFAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N6O/c1-15-9-7(13-14-15)8(11-6-12-9)10-4-3-5-16-2/h6H,3-5H2,1-2H3,(H,10,11,12).
What are the key properties of N-(3-methoxypropyl)-3-methyltriazolo[4,5-d]pyrimidin-7-amine?
N-(3-methoxypropyl)-3-methyltriazolo[4,5-d]pyrimidin-7-amine has a molecular weight of 222.25 g/mol, XLogP of 0.21, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-3-methyltriazolo[4,5-d]pyrimidin-7-amine is sourced from PubChem (CID 7424121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).