5-methyl-N-(3-propoxypropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C12H19N5O — CID 82944187

IUPAC5-methyl-N-(3-propoxypropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCCCOCCCNc1cc(C)nc2ncnn12
InChIInChI=1S/C12H19N5O/c1-3-6-18-7-4-5-13-11-8-10(2)16-12-14-9-15-17(11)12/h8-9,13H,3-7H2,1-2H3
InChIKeyMOERGUIPLNXWKK-UHFFFAOYSA-N
MW249.32 g/mol
LogP1.66
Rot. Bonds7

About 5-methyl-N-(3-propoxypropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

5-methyl-N-(3-propoxypropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 82944187) has the molecular formula C12H19N5O and a molecular weight of 249.32 g/mol. Its IUPAC name is 5-methyl-N-(3-propoxypropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-methyl-N-(3-propoxypropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID82944187
Molecular FormulaC12H19N5O
Molecular Weight249.32 g/mol
Exact Mass249.16
IUPAC Name5-methyl-N-(3-propoxypropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCCCOCCCNc1cc(C)nc2ncnn12
InChIInChI=1S/C12H19N5O/c1-3-6-18-7-4-5-13-11-8-10(2)16-12-14-9-15-17(11)12/h8-9,13H,3-7H2,1-2H3
InChIKeyMOERGUIPLNXWKK-UHFFFAOYSA-N
XLogP1.66
TPSA64.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

Trapidil
CID 5531
5-Methyl(1,2,4)triazolo(1,5-a)pyrimidin-7-amine
CID 169505
(1,2,4)Triazolo(1,5-a)pyrimidin-7-amine, N-ethyl-5-methyl-
CID 40136
N-butan-2-yl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 3226946
5-methyl-N-(prop-2-yn-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 645877
N-heptyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 53259244
7-Hydrazinyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 520838
N,N,5-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 17986622
N-cyclohexyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 18191230
Ethanol, 2-(ethyl-(5-methyl(1,2,4)triazolo(1,5-a)pyrimidin-7-yl)amino)-
CID 3041536
Pyrazolo(1,5-a)-1,3,5-triazine-2,4-diamine, N,N',7-trimethyl-
CID 3054724
Pyrazolo(1,5-a)-1,3,5-triazine-2,4-diamine, 7-methyl-N(sup 4)-2-propenyl-, hydrochloride, hydrate (1:1:1)
CID 3054727

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(3-propoxypropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-methyl-N-(3-propoxypropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 82944187) is 5-methyl-N-(3-propoxypropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-methyl-N-(3-propoxypropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-methyl-N-(3-propoxypropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is CCCOCCCNc1cc(C)nc2ncnn12.
What is the InChIKey of 5-methyl-N-(3-propoxypropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is MOERGUIPLNXWKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O/c1-3-6-18-7-4-5-13-11-8-10(2)16-12-14-9-15-17(11)12/h8-9,13H,3-7H2,1-2H3.
What are the key properties of 5-methyl-N-(3-propoxypropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
5-methyl-N-(3-propoxypropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 249.32 g/mol, XLogP of 1.66, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(3-propoxypropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 82944187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).