7-(1-methoxyethenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine

C9H10N4O — CID 70298005

IUPAC7-(1-methoxyethenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESC=C(OC)c1cc(C)nc2ncnn12
InChIInChI=1S/C9H10N4O/c1-6-4-8(7(2)14-3)13-9(12-6)10-5-11-13/h4-5H,2H2,1,3H3
InChIKeyOXNAVKXQHUCMKX-UHFFFAOYSA-N
MW190.21 g/mol
LogP1.05
Rot. Bonds2

About 7-(1-methoxyethenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine

7-(1-methoxyethenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 70298005) has the molecular formula C9H10N4O and a molecular weight of 190.21 g/mol. Its IUPAC name is 7-(1-methoxyethenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-(1-methoxyethenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID70298005
Molecular FormulaC9H10N4O
Molecular Weight190.21 g/mol
Exact Mass190.09
IUPAC Name7-(1-methoxyethenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESC=C(OC)c1cc(C)nc2ncnn12
InChIInChI=1S/C9H10N4O/c1-6-4-8(7(2)14-3)13-9(12-6)10-5-11-13/h4-5H,2H2,1,3H3
InChIKeyOXNAVKXQHUCMKX-UHFFFAOYSA-N
XLogP1.05
TPSA52.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.21
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxylic acid
CID 25247790
N-but-3-en-2-yl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 115692025
methyl 3-[methyl-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]propanoate
CID 62005412
N-cyclobutyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 53259071
ethyl 2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]acetate
CID 60810672
2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]propanoic acid
CID 43517144
5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 741597
ethyl (E)-3-(dimethylamino)-2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)prop-2-enoate
CID 139049380
methyl 6-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]hexanoate
CID 39772396
N-(1-chloro-3-methoxypropan-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 106181451
methyl 2-methyl-2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]pentanoate
CID 62004554
N-(3,3-dimethylbutan-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 115685845

Frequently Asked Questions

What is the IUPAC name of 7-(1-methoxyethenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 7-(1-methoxyethenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine (CID 70298005) is 7-(1-methoxyethenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-(1-methoxyethenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-(1-methoxyethenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine is C=C(OC)c1cc(C)nc2ncnn12.
What is the InChIKey of 7-(1-methoxyethenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is OXNAVKXQHUCMKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O/c1-6-4-8(7(2)14-3)13-9(12-6)10-5-11-13/h4-5H,2H2,1,3H3.
What are the key properties of 7-(1-methoxyethenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine?
7-(1-methoxyethenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 190.21 g/mol, XLogP of 1.05, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1-methoxyethenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 70298005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).